4-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)butanenitrile

Systemtic Name: 4-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)butanenitrile Openeye Name: 4-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]butanenitrile CAS Name: 4-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)butanenitrile IUPAC Name: 4-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)butanenitrile Traditional Name: 4-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]butyronitrile Formula: C12H18N3O2S2+ MolecularWeight: 300.42022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S2/c13-5-1-2-6-14-7-9-15(10-8-14)19(16,17)12-4-3-11-18-12/h3-4,11H,1-2,6-10H2/p+1