2-bromanyl-4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 2-bromanyl-4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 2-bromo-4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-4-[[[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]amino]methylidene]-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-bromo-4-[[[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]amino]methylidene]-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 2-bromo-4-[[[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]amino]methylene]-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C19H22BrClN3O2+ MolecularWeight: 439.75388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C=C(C1=O)Br

Isomeric SMILES

COC1=CC(=CNN2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)C=C(C1=O)Br

InChI

InChI=1S/C19H21BrClN3O2/c1-26-18-11-15(10-17(20)19(18)25)12-22-24-8-6-23(7-9-24)13-14-2-4-16(21)5-3-14/h2-5,10-12,22H,6-9,13H2,1H3/p+1