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

Systemtic Name: 4-methyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-methyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-methyl-N-[[(3S)-3-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-methyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S/c1-11-4-6-13(7-5-11)18(16,17)15-10-12-3-2-8-14-9-12/h4-7,12,14-15H,2-3,8-10H2,1H3/p+1/t12-/m0/s1