[2-methoxy-3-[phosphonooxy-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]methoxy]propyl] N-octadecylcarbamate

Systemtic Name: [2-methoxy-3-[phosphonooxy-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]methoxy]propyl] N-octadecylcarbamate Openeye Name: [2-methoxy-3-[phosphonooxy(2-thiazol-3-ium-3-ylethoxy)methoxy]propyl] N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [2-methoxy-3-[phosphonooxy-[2-(3-thiazol-3-iumyl)ethoxy]methoxy]propyl] ester IUPAC Name: [2-methoxy-3-[phosphonooxy-[2-(1,3-thiazol-3-ium-3-yl)ethoxy]methoxy]propyl] N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [2-methoxy-3-[phosphonooxy(2-thiazol-3-ium-3-ylethoxy)methoxy]propyl] ester Formula: C29H56N2O9PS+ MolecularWeight: 639.801701

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H55N2O9PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30-28(32)38-24-27(36-2)25-39-29(40-41(33,34)35)37-22-20-31-21-23-42-26-31/h21,23,26-27,29H,3-20,22,24-25H2,1-2H3,(H2-,30,32,33,34,35)/p+1