N-(5-chloranyl-2-cyano-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(5-chloranyl-2-cyano-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(5-chloro-2-cyano-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(5-chloro-2-cyanophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(5-chloro-2-cyanophenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(5-chloro-2-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=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

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

InChI

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