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

Systemtic Name: 2-oxidanyl-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]-2-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 2-hydroxy-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]-2-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one Formula: C18H22N3O2+ MolecularWeight: 312.38618

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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(12-18(17)23)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/p+1