N-(3-cyanophenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(3-cyanophenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(3-cyanophenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(3-cyanophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(3-cyanophenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(3-cyanophenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C18H14N3O+ MolecularWeight: 288.32326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C18H13N3O/c19-11-14-4-3-7-17(10-14)20-18(22)13-21-9-8-15-5-1-2-6-16(15)12-21/h1-10,12H,13H2/p+1