1-ethylsulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-ethylsulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-ethylsulfonyl-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-ethylsulfonyl-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-ethylsulfonyl-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-esyl-4-(3-pyridylmethyl)piperazin-4-ium Formula: C12H20N3O2S+ MolecularWeight: 270.3711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CN=CC=C2

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CN=CC=C2

InChI

InChI=1S/C12H19N3O2S/c1-2-18(16,17)15-8-6-14(7-9-15)11-12-4-3-5-13-10-12/h3-5,10H,2,6-9,11H2,1H3/p+1