| CAS Number | 20335-77-7 |
| Catalog Number | AG01FAH5(AGN-PC-0NJ5MF) |
| Chemical Name | 5-Amino-2-benzylisoquinolin-2-ium perchlorate |
| IUPAC Name | 2-benzylisoquinolin-2-ium-5-amine;perchlorate |
| InChI | InChI=1S/C16H15N2.ClHO4/c17-16-8-4-7-14-12-18(10-9-15(14)16)11-13-5-2-1-3-6-13;2-1(3,4)5/h1-10,12H,11,17H2;(H,2,3,4,5)/q+1;/p-1 |
| InChI Key | QOHAOEUNBISLFQ-UHFFFAOYSA-M |
| MDL Number | MFCD00031849 |
| Molecular Formula | C16H14ClNO4 |
| Molecular Weight | 319.7397 |
| SMILES | Cl([O-])(=O)(=O)=O.C12C=C[N+](CC3=CC=CC=C3)=CC=1C=CC=C2 |
| Synonyms | 5-Amino-2-benzylisoquinolin-2-ium perchlorate,
20335-77-7,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 334.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 334.756g/mol |
| Monoisotopic Mass | 334.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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