2-(7-chloranyl-1-oxidanylidene-7H-isoquinolin-2-ium-2-yl)-N-[2-(phenylmethyl)phenyl]ethanamide

Systemtic Name: 2-(7-chloranyl-1-oxidanylidene-7H-isoquinolin-2-ium-2-yl)-N-[2-(phenylmethyl)phenyl]ethanamide Openeye Name: N-(2-benzylphenyl)-2-(7-chloro-1-oxo-7H-isoquinolin-2-ium-2-yl)acetamide CAS Name: 2-(7-chloro-1-oxo-7H-isoquinolin-2-ium-2-yl)-N-[2-(phenylmethyl)phenyl]acetamide IUPAC Name: N-(2-benzylphenyl)-2-(7-chloro-1-oxo-7H-isoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-benzylphenyl)-2-(7-chloro-1-keto-7H-isoquinolin-2-ium-2-yl)acetamide Formula: C24H20ClN2O2+ MolecularWeight: 403.8808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C[N+]3=CC=C4C=CC(C=C4C3=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)C[N+]3=CC=C4C=CC(C=C4C3=O)Cl

InChI

InChI=1S/C24H19ClN2O2/c25-20-11-10-18-12-13-27(24(29)21(18)15-20)16-23(28)26-22-9-5-4-8-19(22)14-17-6-2-1-3-7-17/h1-13,15,20H,14,16H2/p+1