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

Systemtic Name: 1-cyclohexyl-3-(3-oxidanylidene-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-cyclohexyl-3-(5-isopropyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-cyclohexyl-3-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-cyclohexyl-3-(3-oxo-2-phenyl-5-propan-2-yl-1H-pyrazol-4-yl)-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-cyclohexyl-3-(3-isopropyl-5-keto-1-phenyl-3-pyrazolin-4-yl)-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C4CCCCC4)[N+]5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3/c1-18(2)23-21(26(33)31(28-23)20-14-8-4-9-15-20)22-24(29-16-10-5-11-17-29)27(34)30(25(22)32)19-12-6-3-7-13-19/h4-5,8-11,14-19H,3,6-7,12-13H2,1-2H3/p+1