N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]ethanesulfonamide

Systemtic Name: N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]ethanesulfonamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]ethanesulfonamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]ethanesulfonamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]ethanesulfonamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]ethanesulfonamide Formula: C13H22N3O3S+ MolecularWeight: 300.39708

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCCC(C2)O

Isomeric SMILES

CCS(=O)(=O)NCC1=C([NH+]=CC=C1)N2CCC[C@@H](C2)O

InChI

InChI=1S/C13H21N3O3S/c1-2-20(18,19)15-9-11-5-3-7-14-13(11)16-8-4-6-12(17)10-16/h3,5,7,12,15,17H,2,4,6,8-10H2,1H3/p+1/t12-/m0/s1