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

Systemtic Name: 4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-2-ethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O2/c1-2-26-20-13-17(5-8-19(20)25)14-22-24-11-9-23(10-12-24)15-16-3-6-18(21)7-4-16/h3-8,13-14,22H,2,9-12,15H2,1H3/p+1