3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N'-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]propanehydrazide

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N'-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]propanehydrazide Openeye Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-N'-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]propanehydrazide CAS Name: 3-[4-(diphenylmethyl)-1-piperazin-1-iumyl]-N'-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]propanehydrazide IUPAC Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-N'-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]propanehydrazide Traditional Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-N'-[(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]propionohydrazide Formula: C27H31N4O3+ MolecularWeight: 459.56004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC=C2C=CC(=O)C=C2O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC=C2C=CC(=O)C=C2O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c32-24-12-11-23(25(33)19-24)20-28-29-26(34)13-14-30-15-17-31(18-16-30)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,19-20,27-28,33H,13-18H2,(H,29,34)/p+1