2-methyl-4-pentyl-2-(propylcarbamoyl)-1-[3,4,5-tris(oxidanyl)oxan-2-yl]pyrrolidin-1-ium-1-carboxylic acid

Systemtic Name: 2-methyl-4-pentyl-2-(propylcarbamoyl)-1-[3,4,5-tris(oxidanyl)oxan-2-yl]pyrrolidin-1-ium-1-carboxylic acid Openeye Name: 2-methyl-4-pentyl-2-(propylcarbamoyl)-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyrrolidin-1-ium-1-carboxylic acid CAS Name: 2-methyl-2-[oxo(propylamino)methyl]-4-pentyl-1-(3,4,5-trihydroxy-2-oxanyl)-1-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 2-methyl-4-pentyl-2-(propylcarbamoyl)-1-(3,4,5-trihydroxyoxan-2-yl)pyrrolidin-1-ium-1-carboxylic acid Traditional Name: 4-amyl-2-methyl-2-(propylcarbamoyl)-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyrrolidin-1-ium-1-carboxylic acid Formula: C20H37N2O7+ MolecularWeight: 417.51698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC([N+](C1)(C2C(C(C(CO2)O)O)O)C(=O)O)(C)C(=O)NCCC

Isomeric SMILES

CCCCCC1CC([N+](C1)(C2C(C(C(CO2)O)O)O)C(=O)O)(C)C(=O)NCCC

InChI

InChI=1S/C20H36N2O7/c1-4-6-7-8-13-10-20(3,18(26)21-9-5-2)22(11-13,19(27)28)17-16(25)15(24)14(23)12-29-17/h13-17,23-25H,4-12H2,1-3H3,(H-,21,26,27,28)/p+1