4-[(E)-C-methyl-N-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]carbonimidoyl]phenolate

Systemtic Name: 4-[(E)-C-methyl-N-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]carbonimidoyl]phenolate Openeye Name: 4-[(E)-N-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-C-methyl-carbonimidoyl]phenolate CAS Name: 4-[(1E)-1-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]hydrazinylidene]ethyl]phenolate IUPAC Name: 4-[(E)-N-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-C-methylcarbonimidoyl]phenolate Traditional Name: 4-[(E)-N-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-C-methyl-carbonimidoyl]phenolate Formula: C21H26N4O2 MolecularWeight: 366.45674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2)C3=CC=C(C=C3)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C[NH+]1CCN(CC1)CC2=CC=CC=C2)/C3=CC=C(C=C3)[O-]

InChI

InChI=1S/C21H26N4O2/c1-17(19-7-9-20(26)10-8-19)22-23-21(27)16-25-13-11-24(12-14-25)15-18-5-3-2-4-6-18/h2-10,26H,11-16H2,1H3,(H,23,27)/b22-17+