2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanone CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]ethanone Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2S/c1-29-19-9-10-20-21(16-19)25-23(24-20)30-17-22(28)27-14-12-26(13-15-27)11-5-8-18-6-3-2-4-7-18/h2-10,16H,11-15,17H2,1H3,(H,24,25)/p+1/b8-5+