[3-carboxy-2,5-bis(oxidanyl)-4-oxidanylidene-heptadecyl]-trimethyl-azanium

Systemtic Name: [3-carboxy-2,5-bis(oxidanyl)-4-oxidanylidene-heptadecyl]-trimethyl-azanium Openeye Name: (3-carboxy-2,5-dihydroxy-4-oxo-heptadecyl)-trimethyl-ammonium CAS Name: (3-carboxy-2,5-dihydroxy-4-oxoheptadecyl)-trimethylammonium IUPAC Name: (3-carboxy-2,5-dihydroxy-4-oxoheptadecyl)-trimethylazanium Traditional Name: (3-carboxy-2,5-dihydroxy-4-keto-heptadecyl)-trimethyl-ammonium Formula: C21H42NO5+ MolecularWeight: 388.56188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO5/c1-5-6-7-8-9-10-11-12-13-14-15-17(23)20(25)19(21(26)27)18(24)16-22(2,3)4/h17-19,23-24H,5-16H2,1-4H3/p+1