[1-[[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]cyclopentyl]methyl N-octadecylcarbamate

Systemtic Name: [1-[[oxidanyl(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]cyclopentyl]methyl N-octadecylcarbamate Openeye Name: [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]cyclopentyl]methyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [1-[[hydroxy-[2-(1-pyridin-1-iumyl)ethoxy]phosphoryl]oxymethyl]cyclopentyl]methyl ester IUPAC Name: [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]cyclopentyl]methyl N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [1-[[hydroxy(2-pyridin-1-ium-1-ylethoxy)phosphoryl]oxymethyl]cyclopentyl]methyl ester Formula: C33H60N2O6P+ MolecularWeight: 611.813061

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COP(=O)(O)OCC[N+]2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1(CCCC1)COP(=O)(O)OCC[N+]2=CC=CC=C2

InChI

InChI=1S/C33H59N2O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34-32(36)39-30-33(23-18-19-24-33)31-41-42(37,38)40-29-28-35-26-21-17-22-27-35/h17,21-22,26-27H,2-16,18-20,23-25,28-31H2,1H3,(H-,34,36,37,38)/p+1