[2-(dimethylamino)-3-octadecanoyloxy-butyl] octadecanoate hydrochloride

Systemtic Name: [2-(dimethylamino)-3-octadecanoyloxy-butyl] octadecanoate hydrochloride Openeye Name: [2-(dimethylamino)-3-octadecanoyloxy-butyl] octadecanoate hydrochloride CAS Name: octadecanoic acid [2-(dimethylamino)-3-(1-oxooctadecoxy)butyl] ester hydrochloride IUPAC Name: [2-(dimethylamino)-3-octadecanoyloxybutyl] octadecanoate hydrochloride Traditional Name: stearic acid [2-(dimethylamino)-3-stearoyloxy-butyl] ester hydrochloride Formula: C42H84ClNO4 MolecularWeight: 702.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C)OC(=O)CCCCCCCCCCCCCCCCC)N(C)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(C(C)OC(=O)CCCCCCCCCCCCCCCCC)N(C)C.Cl

InChI

InChI=1S/C42H83NO4.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-41(44)46-38-40(43(4)5)39(3)47-42(45)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h39-40H,6-38H2,1-5H3;1H