3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-ium-1-yl]propionitrile Formula: C12H18N3O2S2+ MolecularWeight: 300.42022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C12H17N3O2S2/c1-11-3-4-12(18-11)19(16,17)15-9-7-14(8-10-15)6-2-5-13/h3-4H,2,6-10H2,1H3/p+1