1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dimethylphenyl)-3-oxidanylidene-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-yl-pyrrole-2,5-dione CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-(1-pyridin-1-iumyl)pyrrole-2,5-dione IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2,4-dimethylphenyl)-3-oxo-5-propyl-1H-pyrazol-4-yl]-4-pyridin-1-ium-1-ylpyrrole-2,5-dione Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[1-(2,4-dimethylphenyl)-5-keto-3-propyl-3-pyrazolin-4-yl]-4-pyridin-1-ium-1-yl-3-pyrroline-2,5-quinone Formula: C30H27N4O5+ MolecularWeight: 523.55918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2)C)C)C3=C(C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)[N+]6=CC=CC=C6

Isomeric SMILES

CCCC1=C(C(=O)N(N1)C2=C(C=C(C=C2)C)C)C3=C(C(=O)N(C3=O)C4=CC5=C(C=C4)OCO5)[N+]6=CC=CC=C6

InChI

InChI=1S/C30H26N4O5/c1-4-8-21-25(29(36)34(31-21)22-11-9-18(2)15-19(22)3)26-27(32-13-6-5-7-14-32)30(37)33(28(26)35)20-10-12-23-24(16-20)39-17-38-23/h5-7,9-16H,4,8,17H2,1-3H3/p+1