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

Systemtic Name: 4-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-2-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-2-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]amino]methylene]-2-methoxy-cyclohexa-2,5-dien-1-one Formula: C19H23ClN3O2+ MolecularWeight: 360.85782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2CC[NH+](CC2)CC3=CC=CC=C3Cl)C=CC1=O

Isomeric SMILES

COC1=CC(=CNN2CC[NH+](CC2)CC3=CC=CC=C3Cl)C=CC1=O

InChI

InChI=1S/C19H22ClN3O2/c1-25-19-12-15(6-7-18(19)24)13-21-23-10-8-22(9-11-23)14-16-4-2-3-5-17(16)20/h2-7,12-13,21H,8-11,14H2,1H3/p+1