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

Systemtic Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-2-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNN2CC[NH+](CC2)CC3=C(C=C(C=C3)C)C)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNN2CC[NH+](CC2)CC3=C(C=C(C=C3)C)C)C1=O

InChI

InChI=1S/C22H29N3O2/c1-4-27-21-7-5-6-19(22(21)26)15-23-25-12-10-24(11-13-25)16-20-9-8-17(2)14-18(20)3/h5-9,14-15,23H,4,10-13,16H2,1-3H3/p+1