[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(2-methylsulfanylethylamino)pyridin-1-ium-3-yl]methanone

Systemtic Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(2-methylsulfanylethylamino)pyridin-1-ium-3-yl]methanone Openeye Name: [(3S)-3-(methoxymethyl)-1-piperidyl]-[6-(2-methylsulfanylethylamino)pyridin-1-ium-3-yl]methanone CAS Name: [(3S)-3-(methoxymethyl)-1-piperidinyl]-[6-[2-(methylthio)ethylamino]-3-pyridin-1-iumyl]methanone IUPAC Name: [(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-(2-methylsulfanylethylamino)pyridin-1-ium-3-yl]methanone Traditional Name: [(3S)-3-(methoxymethyl)piperidino]-[6-[2-(methylthio)ethylamino]pyridin-1-ium-3-yl]methanone Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCCSC

Isomeric SMILES

COC[C@H]1CCCN(C1)C(=O)C2=C[NH+]=C(C=C2)NCCSC

InChI

InChI=1S/C16H25N3O2S/c1-21-12-13-4-3-8-19(11-13)16(20)14-5-6-15(18-10-14)17-7-9-22-2/h5-6,10,13H,3-4,7-9,11-12H2,1-2H3,(H,17,18)/p+1/t13-/m0/s1