[3-methyl-4-octadecanoyloxy-1,1-bis(oxidanyl)pentan-2-yl]azanium

Systemtic Name: [3-methyl-4-octadecanoyloxy-1,1-bis(oxidanyl)pentan-2-yl]azanium Openeye Name: [1-(dihydroxymethyl)-2-methyl-3-octadecanoyloxy-butyl]ammonium CAS Name: [1,1-dihydroxy-3-methyl-4-(1-oxooctadecoxy)pentan-2-yl]ammonium IUPAC Name: (1,1-dihydroxy-3-methyl-4-octadecanoyloxypentan-2-yl)azanium Traditional Name: [1-(dihydroxymethyl)-2-methyl-3-stearoyloxy-butyl]ammonium Formula: C24H50NO4+ MolecularWeight: 416.6581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(C)C(C(O)O)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC(C)C(C)C(C(O)O)[NH3+]

InChI

InChI=1S/C24H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)29-21(3)20(2)23(25)24(27)28/h20-21,23-24,27-28H,4-19,25H2,1-3H3/p+1