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

Systemtic Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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