3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 3-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]benzonitrile IUPAC Name: 3-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]benzonitrile Traditional Name: 3-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C16H18N3O2S2+ MolecularWeight: 348.46302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H17N3O2S2/c17-12-14-3-1-4-15(11-14)13-18-6-8-19(9-7-18)23(20,21)16-5-2-10-22-16/h1-5,10-11H,6-9,13H2/p+1