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

Systemtic Name: 4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-[(2,4-dimethylphenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-2-ethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-(2,4-dimethylbenzyl)piperazin-4-ium-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C22H30N3O2+ MolecularWeight: 368.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CNN2CC[NH+](CC2)CC3=C(C=C(C=C3)C)C)C=CC1=O

Isomeric SMILES

CCOC1=CC(=CNN2CC[NH+](CC2)CC3=C(C=C(C=C3)C)C)C=CC1=O

InChI

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