6-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-(p-tolylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C19H24N3O+ MolecularWeight: 310.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=CC=CC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=CC=CC3=O

InChI

InChI=1S/C19H23N3O/c1-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-5-19(18)23/h2-9,14,20H,10-13,15H2,1H3/p+1