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

Systemtic Name: 3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C15H22N3O4S+ MolecularWeight: 340.41788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CCC#N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CC[NH+](CC2)CCC#N

InChI

InChI=1S/C15H21N3O4S/c1-21-13-4-5-14(22-2)15(12-13)23(19,20)18-10-8-17(9-11-18)7-3-6-16/h4-5,12H,3,7-11H2,1-2H3/p+1