[2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-ethanoyl-N-[(3-ethyl-1,3-thiazol-3-ium-4-yl)methyl]carbamate ethanoate

Systemtic Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-ethanoyl-N-[(3-ethyl-1,3-thiazol-3-ium-4-yl)methyl]carbamate ethanoate Openeye Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(3-ethylthiazol-3-ium-4-yl)methyl]carbamate acetate CAS Name: N-acetyl-N-[(3-ethyl-4-thiazol-3-iumyl)methyl]carbamic acid [2-methoxy-3-[(octadecylamino)-oxomethoxy]propyl] ester acetate IUPAC Name: [2-methoxy-3-(octadecylcarbamoyloxy)propyl] N-acetyl-N-[(3-ethyl-1,3-thiazol-3-ium-4-yl)methyl]carbamate acetate Traditional Name: N-acetyl-N-[(3-ethylthiazol-3-ium-4-yl)methyl]carbamic acid [2-methoxy-3-(stearylcarbamoyloxy)propyl] ester acetate Formula: C34H61N3O8S MolecularWeight: 671.92844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CSC=[N+]1CC)C(=O)C)OC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(COC(=O)N(CC1=CSC=[N+]1CC)C(=O)C)OC.CC(=O)[O-]

InChI

InChI=1S/C32H57N3O6S.C2H4O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-33-31(37)40-24-30(39-4)25-41-32(38)35(28(3)36)23-29-26-42-27-34(29)6-2;1-2(3)4/h26-27,30H,5-25H2,1-4H3;1H3,(H,3,4)