[2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl-(thian-4-yl)azanium

Systemtic Name: [2-[(3S)-3-oxidanylpiperidin-1-yl]pyridin-1-ium-3-yl]methyl-(thian-4-yl)azanium Openeye Name: [2-[(3S)-3-hydroxy-1-piperidyl]pyridin-1-ium-3-yl]methyl-tetrahydrothiopyran-4-yl-ammonium CAS Name: [2-[(3S)-3-hydroxy-1-piperidinyl]-3-pyridin-1-iumyl]methyl-(4-thianyl)ammonium IUPAC Name: [2-[(3S)-3-hydroxypiperidin-1-yl]pyridin-1-ium-3-yl]methyl-(thian-4-yl)azanium Traditional Name: [2-[(3S)-3-hydroxypiperidino]pyridin-1-ium-3-yl]methyl-tetrahydrothiopyran-4-yl-ammonium Formula: C16H27N3OS+2 MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC=[NH+]2)C[NH2+]C3CCSCC3)O

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=CC=[NH+]2)C[NH2+]C3CCSCC3)O

InChI

InChI=1S/C16H25N3OS/c20-15-4-2-8-19(12-15)16-13(3-1-7-17-16)11-18-14-5-9-21-10-6-14/h1,3,7,14-15,18,20H,2,4-6,8-12H2/p+2/t15-/m0/s1