3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile

Systemtic Name: 3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile Openeye Name: 3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)propanenitrile IUPAC Name: 3-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanenitrile Traditional Name: 3-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]propionitrile Formula: C11H16N3O2S2+ MolecularWeight: 286.39364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C11H15N3O2S2/c12-4-2-5-13-6-8-14(9-7-13)18(15,16)11-3-1-10-17-11/h1,3,10H,2,5-9H2/p+1