4-ethyl-6-[5-methyl-4-(3-methyl-1H-benzimidazol-3-ium-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-ethyl-6-[5-methyl-4-(3-methyl-1H-benzimidazol-3-ium-2-yl)-1,2-dihydropyrazol-3-ylidene]-3-oxidanyl-cyclohexa-2,4-dien-1-one Openeye Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(3-methyl-1H-benzimidazol-3-ium-2-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(3-methyl-1H-benzimidazol-3-ium-2-yl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(3-methyl-1H-benzimidazol-3-ium-2-yl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-ethyl-3-hydroxy-6-[5-methyl-4-(3-methyl-1H-benzimidazol-3-ium-2-yl)-3-pyrazolin-3-ylidene]cyclohexa-2,4-dien-1-one Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=C(NN2)C)C3=[N+](C4=CC=CC=C4N3)C)C(=O)C=C1O

Isomeric SMILES

CCC1=CC(=C2C(=C(NN2)C)C3=[N+](C4=CC=CC=C4N3)C)C(=O)C=C1O

InChI

InChI=1S/C20H20N4O2/c1-4-12-9-13(17(26)10-16(12)25)19-18(11(2)22-23-19)20-21-14-7-5-6-8-15(14)24(20)3/h5-10H,4H2,1-3H3,(H3,21,22,23,25,26)/p+1