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

Systemtic Name: 4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-(p-tolylmethyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C19H24N3O+ MolecularWeight: 310.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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