N-[2-chloranyl-1-[6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-4-ethyl-piperidin-1-ium-2-carboxamide

Systemtic Name: N-[2-chloranyl-1-[6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-4-ethyl-piperidin-1-ium-2-carboxamide Openeye Name: N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl)propyl]-4-ethyl-piperidin-1-ium-2-carboxamide CAS Name: N-[2-chloro-1-[3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-4-ethyl-2-piperidin-1-iumcarboxamide IUPAC Name: N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-4-ethylpiperidin-1-ium-2-carboxamide Traditional Name: N-[2-chloro-1-[3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]-4-ethyl-piperidin-1-ium-2-carboxamide Formula: C17H32ClN2O5S+ MolecularWeight: 411.96438

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC[NH2+]C(C1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl

Isomeric SMILES

CCC1CC[NH2+]C(C1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl

InChI

InChI=1S/C17H31ClN2O5S/c1-4-9-5-6-19-10(7-9)16(24)20-11(8(2)18)15-13(22)12(21)14(23)17(25-15)26-3/h8-15,17,19,21-23H,4-7H2,1-3H3,(H,20,24)/p+1