[1-octadecoxy-3-[oxidanyl(5-pyridin-1-ium-1-ylpentoxy)phosphoryl]oxy-propan-2-yl] 3-oxidanylidenebutanoate

Systemtic Name: [1-octadecoxy-3-[oxidanyl(5-pyridin-1-ium-1-ylpentoxy)phosphoryl]oxy-propan-2-yl] 3-oxidanylidenebutanoate Openeye Name: [1-[[hydroxy(5-pyridin-1-ium-1-ylpentoxy)phosphoryl]oxymethyl]-2-octadecoxy-ethyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [1-[hydroxy-[5-(1-pyridin-1-iumyl)pentoxy]phosphoryl]oxy-3-octadecoxypropan-2-yl] ester IUPAC Name: [1-[hydroxy(5-pyridin-1-ium-1-ylpentoxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [1-[[hydroxy(5-pyridin-1-ium-1-ylpentoxy)phosphoryl]oxymethyl]-2-stearyloxy-ethyl] ester Formula: C35H63NO8P+ MolecularWeight: 656.850381

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCCCC[N+]1=CC=CC=C1)OC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCCCCC[N+]1=CC=CC=C1)OC(=O)CC(=O)C

InChI

InChI=1S/C35H62NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-28-41-31-34(44-35(38)30-33(2)37)32-43-45(39,40)42-29-24-19-22-27-36-25-20-18-21-26-36/h18,20-21,25-26,34H,3-17,19,22-24,27-32H2,1-2H3/p+1