| CAS Number | 3854-04-4 |
| Catalog Number | AG01ENRI(AGN-PC-0KO31F) |
| Chemical Name | N,N,N-Trimethyl-4-(2-oxo-1-pyrolidinyl)-2-butyn-1-ammoniumiodide |
| IUPAC Name | trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]azanium;iodide |
| InChI | InChI=1S/C11H19N2O.HI/c1-13(2,3)10-5-4-8-12-9-6-7-11(12)14;/h5-7,9-10H2,1-3H3;1H/q+1;/p-1 |
| InChI Key | CHRKORSYUQVKAQ-UHFFFAOYSA-M |
| MDL Number | MFCD00055133 |
| Molecular Formula | C11H19IN2O |
| Molecular Weight | 322.1858 |
| SMILES | O=C1CCCN1CC#CC[N+](C)(C)C.[I-] |
| Synonyms | 3854-04-4,
(4-(2-Oxo-1-pyrrolidinyl)-2-butynyl)trimethylammonium iodide,
Trimethyl(4-(2-oxopyrrolidin-1-yl)but-2-ynyl)ammonium iodide,
AMMONIUM, (4-(2-OXO-1-PYRROLIDINYL)-2-BUTYNYL)TRIMETHYL-, IODIDE,
AC1L2EPB,
LS-18776,
B6579,
trimethyl-[4-(2-oxopyrrolidin-1-yl)but-3-ynyl]azanium iodide,
Oxotremorine M,
CHRKORSYUQVKAQ-UHFFFAOYSA-M,
CID19714,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 322.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.19g/mol |
| Monoisotopic Mass | 322.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number