[2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium; hexadecanoate; hydrochloride

Systemtic Name: [2,4-bis(oxidanyl)-4-oxidanylidene-butyl]-trimethyl-azanium; hexadecanoate; hydrochloride Openeye Name: (2,4-dihydroxy-4-oxo-butyl)-trimethyl-ammonium; hexadecanoate; hydrochloride CAS Name: (2,4-dihydroxy-4-oxobutyl)-trimethylammonium; hexadecanoate; hydrochloride IUPAC Name: (2,4-dihydroxy-4-oxobutyl)-trimethylazanium; hexadecanoate; hydrochloride Traditional Name: (2,4-dihydroxy-4-keto-butyl)-trimethyl-ammonium; palmitate; hydrochloride Formula: C23H48ClNO5 MolecularWeight: 454.08392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)CC(CC(=O)O)O.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)[O-].C[N+](C)(C)CC(CC(=O)O)O.Cl

InChI

InChI=1S/C16H32O2.C7H15NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-8(2,3)5-6(9)4-7(10)11;/h2-15H2,1H3,(H,17,18);6,9H,4-5H2,1-3H3;1H