4-[[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(thiophen-2-ylmethylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-thienylmethylsulfanyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(thiophen-2-ylmethylthio)ethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(thiophen-2-ylmethylsulfanyl)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-thenylthio)acetyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C19H22N3OS2+ MolecularWeight: 372.52748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CSCC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)CSCC3=CC=CS3

InChI

InChI=1S/C19H21N3OS2/c20-12-16-3-5-17(6-4-16)13-21-7-9-22(10-8-21)19(23)15-24-14-18-2-1-11-25-18/h1-6,11H,7-10,13-15H2/p+1