1-methyl-4-(2-nitrophenyl)sulfanyl-piperidin-1-ium chloride

Systemtic Name: 1-methyl-4-(2-nitrophenyl)sulfanyl-piperidin-1-ium chloride Openeye Name: 1-methyl-4-(2-nitrophenyl)sulfanyl-piperidin-1-ium chloride CAS Name: 1-methyl-4-[(2-nitrophenyl)thio]piperidin-1-ium chloride IUPAC Name: 1-methyl-4-(2-nitrophenyl)sulfanylpiperidin-1-ium chloride Traditional Name: 1-methyl-4-[(2-nitrophenyl)thio]piperidin-1-ium chloride Formula: C12H17ClN2O2S MolecularWeight: 288.79358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)SC2=CC=CC=C2[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[NH+]1CCC(CC1)SC2=CC=CC=C2[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C12H16N2O2S.ClH/c1-13-8-6-10(7-9-13)17-12-5-3-2-4-11(12)14(15)16;/h2-5,10H,6-9H2,1H3;1H