N-(4-bromanyl-2-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide chloride Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride CAS Name: N-(4-bromo-2-methylphenyl)-2-(2-isoquinolin-2-iumyl)acetamide chloride IUPAC Name: N-(4-bromo-2-methylphenyl)-2-isoquinolin-2-ium-2-ylacetamide chloride Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide chloride Formula: C18H16BrClN2O MolecularWeight: 391.68944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN2O.ClH/c1-13-10-16(19)6-7-17(13)20-18(22)12-21-9-8-14-4-2-3-5-15(14)11-21;/h2-11H,12H2,1H3;1H