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

Systemtic Name: 3-[(4-methylphenyl)amino]-4-(1-methylpyridin-1-ium-4-yl)carbonyl-2H-isoquinolin-1-one Openeye Name: 3-(4-methylanilino)-4-(1-methylpyridin-1-ium-4-carbonyl)-2H-isoquinolin-1-one CAS Name: 3-(4-methylanilino)-4-[(1-methyl-4-pyridin-1-iumyl)-oxomethyl]-2H-isoquinolin-1-one IUPAC Name: 3-(4-methylanilino)-4-(1-methylpyridin-1-ium-4-carbonyl)-2H-isoquinolin-1-one Traditional Name: 4-(1-methylpyridin-1-ium-4-carbonyl)-3-(p-toluidino)isocarbostyril Formula: C23H20N3O2+ MolecularWeight: 370.4238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=[N+](C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)N2)C(=O)C4=CC=[N+](C=C4)C

InChI

InChI=1S/C23H19N3O2/c1-15-7-9-17(10-8-15)24-22-20(21(27)16-11-13-26(2)14-12-16)18-5-3-4-6-19(18)23(28)25-22/h3-14H,1-2H3,(H-,24,25,27,28)/p+1