3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione

Systemtic Name: 3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-4-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Openeye Name: 3-(4-ethylpyridin-1-ium-1-yl)-1-isobutyl-4-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(4-ethyl-1-pyridin-1-iumyl)-1-(2-methylpropyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione IUPAC Name: 3-(4-ethylpyridin-1-ium-1-yl)-1-(2-methylpropyl)-4-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 3-(4-ethylpyridin-1-ium-1-yl)-1-isobutyl-4-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)CC(C)C)C3=C(NN(C3=O)C4=CC=CC=C4)C(C)C

Isomeric SMILES

CCC1=CC=[N+](C=C1)C2=C(C(=O)N(C2=O)CC(C)C)C3=C(NN(C3=O)C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H30N4O3/c1-6-19-12-14-29(15-13-19)24-22(25(32)30(27(24)34)16-17(2)3)21-23(18(4)5)28-31(26(21)33)20-10-8-7-9-11-20/h7-15,17-18H,6,16H2,1-5H3/p+1