3-methyl-N-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide

Systemtic Name: 3-methyl-N-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide Openeye Name: 3-methyl-N-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide CAS Name: 3-methyl-N-(4-piperidin-1-iumylmethyl)benzenesulfonamide IUPAC Name: 3-methyl-N-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide Traditional Name: 3-methyl-N-(piperidin-1-ium-4-ylmethyl)benzenesulfonamide Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NCC2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NCC2CC[NH2+]CC2

InChI

InChI=1S/C13H20N2O2S/c1-11-3-2-4-13(9-11)18(16,17)15-10-12-5-7-14-8-6-12/h2-4,9,12,14-15H,5-8,10H2,1H3/p+1