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

Systemtic Name: 4-(1-ethylpiperidin-1-ium-4-yl)carbonyl-3-[(4-methylphenyl)amino]-2H-isoquinolin-1-one iodide Openeye Name: 4-(1-ethylpiperidin-1-ium-4-carbonyl)-3-(4-methylanilino)-2H-isoquinolin-1-one iodide CAS Name: 4-[(1-ethyl-4-piperidin-1-iumyl)-oxomethyl]-3-(4-methylanilino)-2H-isoquinolin-1-one iodide IUPAC Name: 4-(1-ethylpiperidin-1-ium-4-carbonyl)-3-(4-methylanilino)-2H-isoquinolin-1-one iodide Traditional Name: 4-(1-ethylpiperidin-1-ium-4-carbonyl)-3-(p-toluidino)isocarbostyril iodide Formula: C24H28IN3O2 MolecularWeight: 517.40249

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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.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O2.HI/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);1H