1-methyl-4-(6-phenylsulfanylpyridin-3-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(6-phenylsulfanylpyridin-3-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[(6-phenylsulfanyl-3-pyridyl)sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-(phenylthio)-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(6-phenylsulfanylpyridin-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-(phenylthio)-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C16H20N3O2S2+ MolecularWeight: 350.4789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C16H19N3O2S2/c1-18-9-11-19(12-10-18)23(20,21)15-7-8-16(17-13-15)22-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3/p+1