N-[(2-chlorophenyl)methyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(2-chlorobenzyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C18H16ClN2O+ MolecularWeight: 311.78544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H15ClN2O/c19-17-8-4-3-6-15(17)11-20-18(22)13-21-10-9-14-5-1-2-7-16(14)12-21/h1-10,12H,11,13H2/p+1