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

Systemtic Name: 4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 2-hydroxy-4-[[[4-(p-tolylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2-hydroxy-4-[[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-hydroxy-4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-hydroxy-4-[[[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=CC(=O)C(=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=CC(=O)C(=C3)O

InChI

InChI=1S/C19H23N3O2/c1-15-2-4-16(5-3-15)14-21-8-10-22(11-9-21)20-13-17-6-7-18(23)19(24)12-17/h2-7,12-13,20,24H,8-11,14H2,1H3/p+1