4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Openeye Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one CAS Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]cyclohexa-2,5-dien-1-one Traditional Name: 4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]cyclohexa-2,5-dien-1-one Formula: C26H28N3O2S+ MolecularWeight: 446.58442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C4NC5=CC=CC=C5S4)C=CC3=O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C4NC5=CC=CC=C5S4)C=CC3=O

InChI

InChI=1S/C26H27N3O2S/c1-2-31-24-9-5-4-8-22(24)29-15-13-28(14-16-29)18-20-17-19(11-12-23(20)30)26-27-21-7-3-6-10-25(21)32-26/h3-12,17,27H,2,13-16,18H2,1H3/p+1