(2S)-1-(3-methylsulfanylpropyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-(3-methylsulfanylpropyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-(3-methylsulfanylpropyl)-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[3-(methylthio)propyl]-N-(6-phenoxy-3-pyridinyl)-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-(3-methylsulfanylpropyl)-N-(6-phenoxypyridin-3-yl)piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[3-(methylthio)propyl]-N-(6-phenoxy-3-pyridyl)piperidin-1-ium-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCCC1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CSCCC[NH+]1CCCC[C@H]1C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-27-15-7-14-24-13-6-5-10-19(24)21(25)23-17-11-12-20(22-16-17)26-18-8-3-2-4-9-18/h2-4,8-9,11-12,16,19H,5-7,10,13-15H2,1H3,(H,23,25)/p+1/t19-/m0/s1