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

Systemtic Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O/c1-16-7-8-19(17(2)13-16)15-22-9-11-23(12-10-22)21-14-18-5-3-4-6-20(18)24/h3-8,13-14,21H,9-12,15H2,1-2H3/p+1