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

Systemtic Name: 3-methylsulfanyl-N-[[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl]propanamide Openeye Name: N-[[2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl]-3-methylsulfanyl-propanamide CAS Name: N-[[2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl]-3-(methylthio)propanamide IUPAC Name: N-[[2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl]-3-methylsulfanylpropanamide Traditional Name: N-[[2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl]-3-(methylthio)propionamide Formula: C15H24N3O2S+ MolecularWeight: 310.43496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2S/c1-21-9-6-14(20)17-10-12-4-2-7-16-15(12)18-8-3-5-13(19)11-18/h2,4,7,13,19H,3,5-6,8-11H2,1H3,(H,17,20)/p+1/t13-/m0/s1