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

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

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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

Isomeric SMILES

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

InChI

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