[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]azanium

Systemtic Name: [(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]azanium Openeye Name: [(3S)-1-(2,5-dimethylphenyl)sulfonyl-3-piperidyl]ammonium CAS Name: [(3S)-1-(2,5-dimethylphenyl)sulfonyl-3-piperidinyl]ammonium IUPAC Name: [(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]azanium Traditional Name: [(3S)-1-(2,5-dimethylphenyl)sulfonyl-3-piperidyl]ammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCCC(C2)[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCC[C@@H](C2)[NH3+]

InChI

InChI=1S/C13H20N2O2S/c1-10-5-6-11(2)13(8-10)18(16,17)15-7-3-4-12(14)9-15/h5-6,8,12H,3-4,7,9,14H2,1-2H3/p+1/t12-/m0/s1