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

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride CAS Name: N-(5-chloro-2-methylphenyl)-2-(2-isoquinolin-2-iumyl)acetamide chloride IUPAC Name: N-(5-chloro-2-methylphenyl)-2-isoquinolin-2-ium-2-ylacetamide chloride Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride Formula: C18H16Cl2N2O MolecularWeight: 347.23844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C18H15ClN2O.ClH/c1-13-6-7-16(19)10-17(13)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21;/h2-11H,12H2,1H3;1H