3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(phenylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 3-[2-(3,4-dichlorophenyl)-3-oxidanylidene-5-propan-2-yl-1H-pyrazol-4-yl]-1-(phenylmethyl)-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-benzyl-3-[2-(3,4-dichlorophenyl)-5-isopropyl-3-oxo-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 3-[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-1-(phenylmethyl)-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-benzyl-3-[2-(3,4-dichlorophenyl)-3-oxo-5-propan-2-yl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-benzyl-3-[1-(3,4-dichlorophenyl)-3-isopropyl-5-keto-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C28H23Cl2N4O3+ MolecularWeight: 534.41322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC=C5

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1)C2=CC(=C(C=C2)Cl)Cl)C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)[N+]5=CC=CC=C5

InChI

InChI=1S/C28H22Cl2N4O3/c1-17(2)24-22(27(36)34(31-24)19-11-12-20(29)21(30)15-19)23-25(32-13-7-4-8-14-32)28(37)33(26(23)35)16-18-9-5-3-6-10-18/h3-15,17H,16H2,1-2H3/p+1