4-[[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-indan-5-ylsulfanylacetyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(indan-5-ylthio)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H26N3OS+ MolecularWeight: 392.53704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3OS/c24-15-18-4-6-19(7-5-18)16-25-10-12-26(13-11-25)23(27)17-28-22-9-8-20-2-1-3-21(20)14-22/h4-9,14H,1-3,10-13,16-17H2/p+1