(2R)-N-[(2S)-2-chloranyl-1-[(3R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-4-pentyl-pyrrolidin-1-ium-2-carboxamide chloride

Systemtic Name: (2R)-N-[(2S)-2-chloranyl-1-[(3R,6R)-6-methylsulfanyl-3,4,5-tris(oxidanyl)oxan-2-yl]propyl]-4-pentyl-pyrrolidin-1-ium-2-carboxamide chloride Openeye Name: (2R)-N-[(2S)-2-chloro-1-[(3R,6R)-3,4,5-trihydroxy-6-methylsulfanyl-tetrahydropyran-2-yl]propyl]-4-pentyl-pyrrolidin-1-ium-2-carboxamide chloride CAS Name: (2R)-N-[(2S)-2-chloro-1-[(3R,6R)-3,4,5-trihydroxy-6-(methylthio)-2-oxanyl]propyl]-4-pentyl-2-pyrrolidin-1-iumcarboxamide chloride IUPAC Name: (2R)-N-[(2S)-2-chloro-1-[(3R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-4-pentylpyrrolidin-1-ium-2-carboxamide chloride Traditional Name: (2R)-4-amyl-N-[(2S)-2-chloro-1-[(3R,6R)-3,4,5-trihydroxy-6-(methylthio)tetrahydropyran-2-yl]propyl]pyrrolidin-1-ium-2-carboxamide chloride Formula: C19H36Cl2N2O5S MolecularWeight: 475.47054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC([NH2+]C1)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.[Cl-]

Isomeric SMILES

CCCCCC1C[C@@H]([NH2+]C1)C(=O)NC(C2[C@@H](C(C([C@H](O2)SC)O)O)O)[C@H](C)Cl.[Cl-]

InChI

InChI=1S/C19H35ClN2O5S.ClH/c1-4-5-6-7-11-8-12(21-9-11)18(26)22-13(10(2)20)17-15(24)14(23)16(25)19(27-17)28-3;/h10-17,19,21,23-25H,4-9H2,1-3H3,(H,22,26);1H/t10-,11?,12+,13?,14?,15+,16?,17?,19+;/m0./s1