[1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]-3-octadecoxy-propan-2-yl] 3-oxidanylidenebutanoate

Systemtic Name: [1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]-3-octadecoxy-propan-2-yl] 3-oxidanylidenebutanoate Openeye Name: [1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxymethyl]-2-octadecoxy-ethyl] 3-oxobutanoate CAS Name: 3-oxobutanoic acid [1-[2-[2-(1-methyl-1-pyrrolidin-1-iumyl)ethoxy]ethoxy]-3-octadecoxypropan-2-yl] ester IUPAC Name: [1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxy]-3-octadecoxypropan-2-yl] 3-oxobutanoate Traditional Name: 3-ketobutyric acid [1-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethoxymethyl]-2-stearyloxy-ethyl] ester Formula: C34H66NO6+ MolecularWeight: 584.89094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCC1)C)OC(=O)CC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCC1)C)OC(=O)CC(=O)C

InChI

InChI=1S/C34H66NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-39-30-33(41-34(37)29-32(2)36)31-40-28-27-38-26-24-35(3)22-19-20-23-35/h33H,4-31H2,1-3H3/q+1