4-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C18H22N3O+ MolecularWeight: 296.38678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O/c22-18-8-6-16(7-9-18)14-19-21-12-10-20(11-13-21)15-17-4-2-1-3-5-17/h1-9,14,19H,10-13,15H2/p+1