2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide Openeye Name: 2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide CAS Name: 2,5-dimethyl-N-[(3S)-3-piperidin-1-iumyl]benzenesulfonamide IUPAC Name: 2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide Traditional Name: 2,5-dimethyl-N-[(3S)-piperidin-1-ium-3-yl]benzenesulfonamide 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)NC2CCC[NH2+]C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N[C@H]2CCC[NH2+]C2

InChI

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