4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-2-(piperidin-1-ylmethyl)-1H-pyrazol-5-ylidene]-3-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-one

Systemtic Name: 4-ethyl-6-[4-(1-methylbenzimidazol-2-yl)-2-(piperidin-1-ylmethyl)-1H-pyrazol-5-ylidene]-3-oxidanyl-2-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: 4-ethyl-3-hydroxy-6-[4-(1-methylbenzimidazol-2-yl)-2-(1-piperidylmethyl)-1H-pyrazol-5-ylidene]-2-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-one CAS Name: 4-ethyl-3-hydroxy-6-[4-(1-methyl-2-benzimidazolyl)-2-(1-piperidinylmethyl)-1H-pyrazol-5-ylidene]-2-(1-piperidin-1-iumylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: 4-ethyl-3-hydroxy-6-[4-(1-methylbenzimidazol-2-yl)-2-(piperidin-1-ylmethyl)-1H-pyrazol-5-ylidene]-2-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-one Traditional Name: 4-ethyl-3-hydroxy-6-[4-(1-methylbenzimidazol-2-yl)-1-(piperidinomethyl)-3-pyrazolin-3-ylidene]-2-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,4-dien-1-one Formula: C31H41N6O2+ MolecularWeight: 529.69624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=CN(N2)CN3CCCCC3)C4=NC5=CC=CC=C5N4C)C(=O)C(=C1O)C[NH+]6CCCCC6

Isomeric SMILES

CCC1=CC(=C2C(=CN(N2)CN3CCCCC3)C4=NC5=CC=CC=C5N4C)C(=O)C(=C1O)C[NH+]6CCCCC6

InChI

InChI=1S/C31H40N6O2/c1-3-22-18-23(30(39)25(29(22)38)19-35-14-8-4-9-15-35)28-24(20-37(33-28)21-36-16-10-5-11-17-36)31-32-26-12-6-7-13-27(26)34(31)2/h6-7,12-13,18,20,33,38H,3-5,8-11,14-17,19,21H2,1-2H3/p+1