(3-carboxy-2-oxidanyl-4-oxidanylidene-heptadecyl)-trimethyl-azanium

Systemtic Name: (3-carboxy-2-oxidanyl-4-oxidanylidene-heptadecyl)-trimethyl-azanium Openeye Name: (3-carboxy-2-hydroxy-4-oxo-heptadecyl)-trimethyl-ammonium CAS Name: (3-carboxy-2-hydroxy-4-oxoheptadecyl)-trimethylammonium IUPAC Name: (3-carboxy-2-hydroxy-4-oxoheptadecyl)-trimethylazanium Traditional Name: (3-carboxy-2-hydroxy-4-keto-heptadecyl)-trimethyl-ammonium Formula: C21H42NO4+ MolecularWeight: 372.56248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(C(C[N+](C)(C)C)O)C(=O)O

InChI

InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(23)20(21(25)26)19(24)17-22(2,3)4/h19-20,24H,5-17H2,1-4H3/p+1