4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-3-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amino]methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C20H26N3O2+ MolecularWeight: 340.43934

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=C3O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)NC=C3C=CC(=O)C=C3O)C

InChI

InChI=1S/C20H25N3O2/c1-15-3-4-18(16(2)11-15)14-22-7-9-23(10-8-22)21-13-17-5-6-19(24)12-20(17)25/h3-6,11-13,21,25H,7-10,14H2,1-2H3/p+1