3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-oxidanylidene-2-phenyl-5-propyl-1H-pyrazol-4-yl)-1-(phenylmethyl)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-(phenylmethyl)pyrrole-2,5-dione Openeye Name: 1-benzyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-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-(phenylmethyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(3-oxo-2-phenyl-5-propyl-1H-pyrazol-4-yl)pyrrole-2,5-dione Traditional Name: 1-benzyl-3-(3,5-dimethylpyridin-1-ium-1-yl)-4-(5-keto-1-phenyl-3-propyl-3-pyrazolin-4-yl)-3-pyrroline-2,5-quinone Formula: C30H29N4O3+ MolecularWeight: 493.57626

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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)CC4=CC=CC=C4)[N+]5=CC(=CC(=C5)C)C

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=CC=CC=C2)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC(=CC(=C5)C)C

InChI

InChI=1S/C30H28N4O3/c1-4-11-24-25(29(36)34(31-24)23-14-9-6-10-15-23)26-27(32-17-20(2)16-21(3)18-32)30(37)33(28(26)35)19-22-12-7-5-8-13-22/h5-10,12-18H,4,11,19H2,1-3H3/p+1