[1-octadecoxy-3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propan-2-yl] N-butylcarbamate

Systemtic Name: [1-octadecoxy-3-[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-propan-2-yl] N-butylcarbamate Openeye Name: [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]-2-octadecoxy-ethyl] N-butylcarbamate CAS Name: N-butylcarbamic acid [1-[hydroxy-[2-(1-pyridin-1-iumyl)ethoxy]phosphoryl]oxy-3-octadecoxypropan-2-yl] ester IUPAC Name: [1-[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] N-butylcarbamate Traditional Name: N-butylcarbamic acid [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]-2-stearyloxy-ethyl] ester Formula: C33H62N2O7P+ MolecularWeight: 629.828341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)OC(=O)NCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+]1=CC=CC=C1)OC(=O)NCCCC

InChI

InChI=1S/C33H61N2O7P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-28-39-30-32(42-33(36)34-24-6-4-2)31-41-43(37,38)40-29-27-35-25-21-20-22-26-35/h20-22,25-26,32H,3-19,23-24,27-31H2,1-2H3,(H-,34,36,37,38)/p+1