[(2R)-4-hexadecoxy-2-(3-methylbutanoyloxy)-4-oxidanylidene-butyl]-trimethyl-azanium chloride

Systemtic Name: [(2R)-4-hexadecoxy-2-(3-methylbutanoyloxy)-4-oxidanylidene-butyl]-trimethyl-azanium chloride Openeye Name: [(2R)-4-hexadecoxy-2-(3-methylbutanoyloxy)-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [(2R)-4-hexadecoxy-2-(3-methyl-1-oxobutoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2R)-4-hexadecoxy-2-(3-methylbutanoyloxy)-4-oxobutyl]-trimethylazanium chloride Traditional Name: [(2R)-4-cetyloxy-2-isovaleryloxy-4-keto-butyl]-trimethyl-ammonium chloride Formula: C28H56ClNO4 MolecularWeight: 506.20154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C[C@H](C[N+](C)(C)C)OC(=O)CC(C)C.[Cl-]

InChI

InChI=1S/C28H56NO4.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-27(30)23-26(24-29(4,5)6)33-28(31)22-25(2)3;/h25-26H,7-24H2,1-6H3;1H/q+1;/p-1/t26-;/m1./s1