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

Systemtic Name: 2-ethoxy-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-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-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-ethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(4-benzylpiperazin-4-ium-1-yl)anilino]methylene]-2-ethoxy-cyclohexa-2,4-dien-1-one Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C1=O

Isomeric SMILES

CCOC1=CC=CC(=CNC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)C1=O

InChI

InChI=1S/C26H29N3O2/c1-2-31-25-10-6-9-22(26(25)30)19-27-23-11-13-24(14-12-23)29-17-15-28(16-18-29)20-21-7-4-3-5-8-21/h3-14,19,27H,2,15-18,20H2,1H3/p+1