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

Systemtic Name: 6-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-2-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]amino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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