N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propanehydrazide

Systemtic Name: N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-3-[4-(diphenylmethyl)piperazin-1-ium-1-yl]propanehydrazide Openeye Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-N'-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]propanehydrazide CAS Name: N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-3-[4-(diphenylmethyl)-1-piperazin-1-iumyl]propanehydrazide IUPAC Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-N'-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]propanehydrazide Traditional Name: 3-(4-benzhydrylpiperazin-1-ium-1-yl)-N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]propionohydrazide Formula: C27H30BrN4O2+ MolecularWeight: 522.4567

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)NNC=C2C=C(C=CC2=O)Br)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)NNC=C2C=C(C=CC2=O)Br)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29BrN4O2/c28-24-11-12-25(33)23(19-24)20-29-30-26(34)13-14-31-15-17-32(18-16-31)27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-12,19-20,27,29H,13-18H2,(H,30,34)/p+1