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

Systemtic Name: 2-methoxy-4-[1-[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2-methoxy-4-[1-[[4-(p-tolylmethyl)piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one CAS Name: 2-methoxy-4-[1-[[4-[(4-methylphenyl)methyl]-1-piperazin-4-iumyl]amino]ethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2-methoxy-4-[1-[[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2-methoxy-4-[1-[[4-(4-methylbenzyl)piperazin-4-ium-1-yl]amino]ethylidene]cyclohexa-2,5-dien-1-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-16-4-6-18(7-5-16)15-23-10-12-24(13-11-23)22-17(2)19-8-9-20(25)21(14-19)26-3/h4-9,14,22H,10-13,15H2,1-3H3/p+1