2,4-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]benzenesulfonamide

Systemtic Name: 2,4-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 2,4-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 2,4-dimethyl-N-[[(3S)-3-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 2,4-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 2,4-dimethyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C14H23N2O2S+ MolecularWeight: 283.40962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)NCC2CCC[NH2+]C2)C

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O2S/c1-11-5-6-14(12(2)8-11)19(17,18)16-10-13-4-3-7-15-9-13/h5-6,8,13,15-16H,3-4,7,9-10H2,1-2H3/p+1/t13-/m0/s1