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

Systemtic Name: N-(5-chloranyl-2-phenoxy-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(5-chloro-2-phenoxy-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(5-chloro-2-phenoxyphenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(5-chloro-2-phenoxyphenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(5-chloro-2-phenoxy-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C23H18ClN2O2+ MolecularWeight: 389.85422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2)Cl)NC(=O)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H17ClN2O2/c24-19-10-11-22(28-20-8-2-1-3-9-20)21(14-19)25-23(27)16-26-13-12-17-6-4-5-7-18(17)15-26/h1-15H,16H2/p+1