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

Systemtic Name: N'-[(3-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-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide CAS Name: N'-[(3-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-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N'-[(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C=CC1=O

Isomeric SMILES

COC1=CC(=CNNC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3)C=CC1=O

InChI

InChI=1S/C21H26N4O3/c1-28-20-13-18(7-8-19(20)26)14-22-23-21(27)16-25-11-9-24(10-12-25)15-17-5-3-2-4-6-17/h2-8,13-14,22H,9-12,15-16H2,1H3,(H,23,27)/p+1