2-(2,4-dimethylphenyl)-4-[[(5-methylpyridin-1-ium-2-yl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[(5-methylpyridin-1-ium-2-yl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(2,4-dimethylphenyl)-4-[[(5-methylpyridin-1-ium-2-yl)amino]methylene]isoquinoline-1,3-dione CAS Name: 2-(2,4-dimethylphenyl)-4-[[(5-methyl-2-pyridin-1-iumyl)amino]methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(2,4-dimethylphenyl)-4-[[(5-methylpyridin-1-ium-2-yl)amino]methylidene]isoquinoline-1,3-dione Traditional Name: 2-(2,4-dimethylphenyl)-4-[[(5-methylpyridin-1-ium-2-yl)amino]methylene]isoquinoline-1,3-quinone Formula: C24H22N3O2+ MolecularWeight: 384.45038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=[NH+]C=C(C=C4)C)C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=[NH+]C=C(C=C4)C)C2=O)C

InChI

InChI=1S/C24H21N3O2/c1-15-8-10-21(17(3)12-15)27-23(28)19-7-5-4-6-18(19)20(24(27)29)14-26-22-11-9-16(2)13-25-22/h4-14H,1-3H3,(H,25,26)/p+1