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

Systemtic Name: 4-[1-[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-[[4-(p-tolylmethyl)piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]amino]ethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-[[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one Formula: C20H26N3O+ MolecularWeight: 324.43994

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O/c1-16-3-5-18(6-4-16)15-22-11-13-23(14-12-22)21-17(2)19-7-9-20(24)10-8-19/h3-10,21H,11-15H2,1-2H3/p+1