3-oxidanylidene-6-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-1,4-dien-1-olate

Systemtic Name: 3-oxidanylidene-6-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-1,4-dien-1-olate Openeye Name: 6-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-3-oxo-cyclohexa-1,4-dien-1-olate CAS Name: 3-oxo-6-[[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-1,4-dienolate IUPAC Name: 6-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylidene]-3-oxocyclohexa-1,4-dien-1-olate Traditional Name: 6-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-3-keto-cyclohexa-1,4-dien-1-olate Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)NC=C3C=CC(=O)C=C3[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)NC=C3C=CC(=O)C=C3[O-]

InChI

InChI=1S/C18H21N3O2/c22-17-7-6-16(18(23)12-17)13-19-21-10-8-20(9-11-21)14-15-4-2-1-3-5-15/h1-7,12-13,19,23H,8-11,14H2