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

Systemtic Name: 4-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-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 4-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-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(4-benzylpiperazin-4-ium-1-yl)anilino]methylene]-4-methoxy-cyclohexa-2,4-dien-1-one Formula: C25H28N3O2+ MolecularWeight: 402.50872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O2/c1-30-24-11-12-25(29)21(17-24)18-26-22-7-9-23(10-8-22)28-15-13-27(14-16-28)19-20-5-3-2-4-6-20/h2-12,17-18,26H,13-16,19H2,1H3/p+1