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

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 4-(1,3-thiazol-3-ium-3-yl)butanoate Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 4-thiazol-3-ium-3-ylbutanoate CAS Name: 4-(3-thiazol-3-iumyl)butanoic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] 4-(1,3-thiazol-3-ium-3-yl)butanoate Traditional Name: 4-thiazol-3-ium-3-ylbutyric acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester Formula: C30H55N2O5S+ MolecularWeight: 555.8331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H54N2O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-30(34)37-26-28(35-2)25-36-29(33)20-19-22-32-23-24-38-27-32/h23-24,27-28H,3-22,25-26H2,1-2H3/p+1