1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 1-(4-methoxyphenyl)-3-(3-methyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 1-(4-methoxyphenyl)-3-(3-methylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-1-(4-methoxyphenyl)-4-(3-methylpyridin-1-ium-1-yl)-3-pyrroline-2,5-quinone Formula: C29H27N4O4+ MolecularWeight: 495.54908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC)[N+]5=CC=CC(=C5)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)OC)[N+]5=CC=CC(=C5)C

InChI

InChI=1S/C29H26N4O4/c1-4-9-23-24(28(35)33(30-23)21-11-6-5-7-12-21)25-26(31-17-8-10-19(2)18-31)29(36)32(27(25)34)20-13-15-22(37-3)16-14-20/h5-8,10-18H,4,9H2,1-3H3/p+1