1-methylsulfonyl-N-(pyridin-1-ium-3-ylmethyl)piperidine-3-carboxamide

Systemtic Name: 1-methylsulfonyl-N-(pyridin-1-ium-3-ylmethyl)piperidine-3-carboxamide Openeye Name: 1-methylsulfonyl-N-(pyridin-1-ium-3-ylmethyl)piperidine-3-carboxamide CAS Name: 1-methylsulfonyl-N-(3-pyridin-1-iumylmethyl)-3-piperidinecarboxamide IUPAC Name: 1-methylsulfonyl-N-(pyridin-1-ium-3-ylmethyl)piperidine-3-carboxamide Traditional Name: 1-mesyl-N-(pyridin-1-ium-3-ylmethyl)nipecotamide Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=C[NH+]=CC=C2

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NCC2=C[NH+]=CC=C2

InChI

InChI=1S/C13H19N3O3S/c1-20(18,19)16-7-3-5-12(10-16)13(17)15-9-11-4-2-6-14-8-11/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H,15,17)/p+1