[(2R)-2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-(1,3-thiazol-3-ium-3-yl)butanoate hydroxide

Systemtic Name: [(2R)-2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-(1,3-thiazol-3-ium-3-yl)butanoate hydroxide Openeye Name: [(2R)-2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-thiazol-3-ium-3-ylbutanoate hydroxide CAS Name: 4-(3-thiazol-3-iumyl)butanoic acid [(2R)-2-methoxycarbonyloxy-3-[(octadecylamino)-oxomethoxy]propyl] ester hydroxide IUPAC Name: [(2R)-2-methoxycarbonyloxy-3-(octadecylcarbamoyloxy)propyl] 4-(1,3-thiazol-3-ium-3-yl)butanoate hydroxide Traditional Name: 4-thiazol-3-ium-3-ylbutyric acid [(2R)-2-carbomethoxyoxy-3-(stearylcarbamoyloxy)propyl] ester hydroxide Formula: C31H56N2O8S MolecularWeight: 616.84994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)CCC[N+]1=CSC=C1)OC(=O)OC.[OH-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@H](COC(=O)CCC[N+]1=CSC=C1)OC(=O)OC.[OH-]

InChI

InChI=1S/C31H54N2O7S.H2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-32-30(35)39-26-28(40-31(36)37-2)25-38-29(34)20-19-22-33-23-24-41-27-33;/h23-24,27-28H,3-22,25-26H2,1-2H3;1H2/t28-;/m1./s1