[1-octadecoxy-3-[oxidanyl(4-pyridin-1-ium-1-ylbutoxy)phosphoryl]oxy-propan-2-yl] 3-oxidanylidenebutanoate

Systemtic Name: [1-octadecoxy-3-[oxidanyl(4-pyridin-1-ium-1-ylbutoxy)phosphoryl]oxy-propan-2-yl] 3-oxidanylidenebutanoate Openeye Name: [1-[[hydroxy(4-pyridin-1-ium-1-ylbutoxy)phosphoryl]oxymethyl]-2-octadecoxy-ethyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [1-[hydroxy-[4-(1-pyridin-1-iumyl)butoxy]phosphoryl]oxy-3-octadecoxypropan-2-yl] ester IUPAC Name: [1-[hydroxy(4-pyridin-1-ium-1-ylbutoxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [1-[[hydroxy(4-pyridin-1-ium-1-ylbutoxy)phosphoryl]oxymethyl]-2-stearyloxy-ethyl] ester Formula: C34H61NO8P+ MolecularWeight: 642.823801

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H60NO8P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-40-30-33(43-34(37)29-32(2)36)31-42-44(38,39)41-28-23-21-26-35-24-19-18-20-25-35/h18-20,24-25,33H,3-17,21-23,26-31H2,1-2H3/p+1