4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-ethyl-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]cyclohexa-2,4-dien-1-one CAS Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(1-methyl-2-benzimidazolyl)-1,2-dihydropyrazol-3-ylidene]-2-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-cyclohexa-2,4-dienone IUPAC Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-1,2-dihydropyrazol-3-ylidene]-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]cyclohexa-2,4-dien-1-one Traditional Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(1-methylbenzimidazol-2-yl)-3-pyrazolin-3-ylidene]-2-[(4-methylpiperazine-1,4-diium-1-yl)methyl]cyclohexa-2,4-dien-1-one Formula: C26H34N6O2+2 MolecularWeight: 462.58716

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C)C3=NC4=CC=CC=C4N3C)C(=O)C(=C1O)C[NH+]5CC[NH+](CC5)C

Isomeric SMILES

CCC1=CC(=C2C(=C(NN2)C)C3=NC4=CC=CC=C4N3C)C(=O)C(=C1O)C[NH+]5CC[NH+](CC5)C

InChI

InChI=1S/C26H32N6O2/c1-5-17-14-18(25(34)19(24(17)33)15-32-12-10-30(3)11-13-32)23-22(16(2)28-29-23)26-27-20-8-6-7-9-21(20)31(26)4/h6-9,14,28-29,33H,5,10-13,15H2,1-4H3/p+2