N'-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanehydrazide

Systemtic Name: N'-[(3-bromanyl-5-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanehydrazide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N'-[(3-bromo-5-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide CAS Name: N'-[(3-bromo-5-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetohydrazide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N'-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N'-[(3-bromo-4-keto-5-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Formula: C21H26BrN4O3+ MolecularWeight: 462.36014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C=C(C1=O)Br

InChI

InChI=1S/C21H25BrN4O3/c1-29-19-12-17(11-18(22)21(19)28)13-23-24-20(27)15-26-9-7-25(8-10-26)14-16-5-3-2-4-6-16/h2-6,11-13,23H,7-10,14-15H2,1H3,(H,24,27)/p+1