3-methylsulfonyl-N-(piperidin-1-ium-4-ylmethyl)benzamide

Systemtic Name: 3-methylsulfonyl-N-(piperidin-1-ium-4-ylmethyl)benzamide Openeye Name: 3-methylsulfonyl-N-(piperidin-1-ium-4-ylmethyl)benzamide CAS Name: 3-methylsulfonyl-N-(4-piperidin-1-iumylmethyl)benzamide IUPAC Name: 3-methylsulfonyl-N-(piperidin-1-ium-4-ylmethyl)benzamide Traditional Name: 3-mesyl-N-(piperidin-1-ium-4-ylmethyl)benzamide Formula: C14H21N2O3S+ MolecularWeight: 297.39314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2CC[NH2+]CC2

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)NCC2CC[NH2+]CC2

InChI

InChI=1S/C14H20N2O3S/c1-20(18,19)13-4-2-3-12(9-13)14(17)16-10-11-5-7-15-8-6-11/h2-4,9,11,15H,5-8,10H2,1H3,(H,16,17)/p+1