[3-(4,5-dihydro-1,3-thiazol-3-ium-2-yl)-2-methoxy-propyl] N-octadecylcarbamate; ethyl phosphate

Systemtic Name: [3-(4,5-dihydro-1,3-thiazol-3-ium-2-yl)-2-methoxy-propyl] N-octadecylcarbamate; ethyl phosphate Openeye Name: [3-(4,5-dihydrothiazol-3-ium-2-yl)-2-methoxy-propyl] N-octadecylcarbamate; ethyl phosphate CAS Name: ethyl phosphate; N-octadecylcarbamic acid [3-(4,5-dihydrothiazol-3-ium-2-yl)-2-methoxypropyl] ester IUPAC Name: [3-(4,5-dihydro-1,3-thiazol-3-ium-2-yl)-2-methoxypropyl] N-octadecylcarbamate; ethyl phosphate Traditional Name: ethyl phosphate; N-stearylcarbamic acid [2-methoxy-3-(2-thiazolin-3-ium-2-yl)propyl] ester Formula: C28H56N2O7PS- MolecularWeight: 595.792201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC1=[NH+]CCS1)OC.CCOP(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC(CC1=[NH+]CCS1)OC.CCOP(=O)([O-])[O-]

InChI

InChI=1S/C26H50N2O3S.C2H7O4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-26(29)31-23-24(30-2)22-25-27-20-21-32-25;1-2-6-7(3,4)5/h24H,3-23H2,1-2H3,(H,28,29);2H2,1H3,(H2,3,4,5)/p-1