(2S,4R)-4-hexadecanoyloxy-1,1-dimethyl-pyrrolidin-1-ium-2-carboxylic acid

Systemtic Name: (2S,4R)-4-hexadecanoyloxy-1,1-dimethyl-pyrrolidin-1-ium-2-carboxylic acid Openeye Name: (2S,4R)-4-hexadecanoyloxy-1,1-dimethyl-pyrrolidin-1-ium-2-carboxylic acid CAS Name: (2S,4R)-1,1-dimethyl-4-(1-oxohexadecoxy)-2-pyrrolidin-1-iumcarboxylic acid IUPAC Name: (2S,4R)-4-hexadecanoyloxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid Traditional Name: (2S,4R)-4-hexadecanoyloxy-1,1-dimethyl-pyrrolidin-1-ium-2-carboxylic acid Formula: C23H44NO4+ MolecularWeight: 398.59976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1CC([N+](C1)(C)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H]([N+](C1)(C)C)C(=O)O

InChI

InChI=1S/C23H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)28-20-18-21(23(26)27)24(2,3)19-20/h20-21H,4-19H2,1-3H3/p+1/t20-,21+/m1/s1