N-(3-chloranyl-4-cyano-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(3-chloranyl-4-cyano-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(3-chloro-4-cyano-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(3-chloro-4-cyanophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(3-chloro-4-cyanophenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(3-chloro-4-cyano-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C18H13ClN3O+ MolecularWeight: 322.76832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O/c19-17-9-16(6-5-14(17)10-20)21-18(23)12-22-8-7-13-3-1-2-4-15(13)11-22/h1-9,11H,12H2/p+1