4-(1-ethylpiperidin-1-ium-4-yl)carbonyl-3-[(4-methylphenyl)amino]-2H-isoquinolin-1-one

Systemtic Name: 4-(1-ethylpiperidin-1-ium-4-yl)carbonyl-3-[(4-methylphenyl)amino]-2H-isoquinolin-1-one Openeye Name: 4-(1-ethylpiperidin-1-ium-4-carbonyl)-3-(4-methylanilino)-2H-isoquinolin-1-one CAS Name: 4-[(1-ethyl-4-piperidin-1-iumyl)-oxomethyl]-3-(4-methylanilino)-2H-isoquinolin-1-one IUPAC Name: 4-(1-ethylpiperidin-1-ium-4-carbonyl)-3-(4-methylanilino)-2H-isoquinolin-1-one Traditional Name: 4-(1-ethylpiperidin-1-ium-4-carbonyl)-3-(p-toluidino)isocarbostyril Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)C(=O)C2=C(NC(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)C

Isomeric SMILES

CC[NH+]1CCC(CC1)C(=O)C2=C(NC(=O)C3=CC=CC=C32)NC4=CC=C(C=C4)C

InChI

InChI=1S/C24H27N3O2/c1-3-27-14-12-17(13-15-27)22(28)21-19-6-4-5-7-20(19)24(29)26-23(21)25-18-10-8-16(2)9-11-18/h4-11,17H,3,12-15H2,1-2H3,(H2,25,26,29)/p+1