1-(4-methylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-(p-tolylsulfonyl)-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-(4-methylphenyl)sulfonyl-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-pyridin-1-ium-2-yl-4-tosyl-piperazine Formula: C16H20N3O2S+ MolecularWeight: 318.4139

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H19N3O2S/c1-14-5-7-15(8-6-14)22(20,21)19-12-10-18(11-13-19)16-4-2-3-9-17-16/h2-9H,10-13H2,1H3/p+1