2-(7-chloranyl-1-oxidanylidene-8aH-isoquinolin-2-ium-2-yl)-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-(7-chloranyl-1-oxidanylidene-8aH-isoquinolin-2-ium-2-yl)-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-(7-chloro-1-oxo-8aH-isoquinolin-2-ium-2-yl)-N-(4-phenoxyphenyl)acetamide CAS Name: 2-(7-chloro-1-oxo-8aH-isoquinolin-2-ium-2-yl)-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-(7-chloro-1-oxo-8aH-isoquinolin-2-ium-2-yl)-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-(7-chloro-1-keto-8aH-isoquinolin-2-ium-2-yl)-N-(4-phenoxyphenyl)acetamide Formula: C23H18ClN2O3+ MolecularWeight: 405.85362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[N+]3=CC=C4C=CC(=CC4C3=O)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C[N+]3=CC=C4C=CC(=CC4C3=O)Cl

InChI

InChI=1S/C23H17ClN2O3/c24-17-7-6-16-12-13-26(23(28)21(16)14-17)15-22(27)25-18-8-10-20(11-9-18)29-19-4-2-1-3-5-19/h1-14,21H,15H2/p+1