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

Systemtic Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propan-2-yl-pyrrole-2,5-dione Openeye Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isopropyl-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione CAS Name: 3-(3,5-dimethyl-1-pyridin-1-iumyl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propan-2-ylpyrrole-2,5-dione IUPAC Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-propan-2-ylpyrrole-2,5-dione Traditional Name: 3-(3,5-dimethylpyridin-1-ium-1-yl)-1-isopropyl-4-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C26H29N4O3+ MolecularWeight: 445.53346

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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)C(C)C)[N+]4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)C(C)C)[N+]4=CC(=CC(=C4)C)C

InChI

InChI=1S/C26H28N4O3/c1-6-10-20-21(25(32)30(27-20)19-11-8-7-9-12-19)22-23(26(33)29(16(2)3)24(22)31)28-14-17(4)13-18(5)15-28/h7-9,11-16H,6,10H2,1-5H3/p+1