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

Systemtic Name: 2-bromanyl-6-methoxy-4-[[[4-(phenylmethyl)piperazin-4-ium-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-6-methoxy-4-[[[4-(phenylmethyl)-1-piperazin-4-iumyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylidene]-2-bromo-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[[(4-benzylpiperazin-4-ium-1-yl)amino]methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C19H23BrN3O2+ MolecularWeight: 405.30882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O2/c1-25-18-12-16(11-17(20)19(18)24)13-21-23-9-7-22(8-10-23)14-15-5-3-2-4-6-15/h2-6,11-13,21H,7-10,14H2,1H3/p+1