4-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(diphenylmethyl)piperazin-4-ium-1-yl]-sulfanyl-methylidene]-2-ethoxy-cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-benzhydrylpiperazin-4-ium-1-yl)-sulfanyl-methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]-mercaptomethylidene]-2-ethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-benzhydrylpiperazin-4-ium-1-yl)-sulfanylmethylidene]-2-ethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-benzhydrylpiperazin-4-ium-1-yl)-mercapto-methylene]-2-ethoxy-cyclohexa-2,5-dien-1-one Formula: C26H29N2O2S+ MolecularWeight: 433.58566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S)C=CC1=O

Isomeric SMILES

CCOC1=CC(=C(N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)S)C=CC1=O

InChI

InChI=1S/C26H28N2O2S/c1-2-30-24-19-22(13-14-23(24)29)26(31)28-17-15-27(16-18-28)25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-14,19,25,31H,2,15-18H2,1H3/p+1