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

Systemtic Name: 4-bromanyl-2-methoxy-6-[[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(4-benzylpiperazin-4-ium-1-yl)anilino]methylene]-4-bromo-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 4-bromo-2-methoxy-6-[[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(4-benzylpiperazin-4-ium-1-yl)anilino]methylidene]-4-bromo-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(4-benzylpiperazin-4-ium-1-yl)anilino]methylene]-4-bromo-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C25H27BrN3O2+ MolecularWeight: 481.40478

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C1=O)Br

Isomeric SMILES

COC1=CC(=CC(=CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C1=O)Br

InChI

InChI=1S/C25H26BrN3O2/c1-31-24-16-21(26)15-20(25(24)30)17-27-22-7-9-23(10-8-22)29-13-11-28(12-14-29)18-19-5-3-2-4-6-19/h2-10,15-17,27H,11-14,18H2,1H3/p+1