[5-[hydroxymethyloxy(2-quinolin-1-ium-1-ylethoxy)phosphoryl]furan-2-yl]methyl N-octadecylcarbamate

Systemtic Name: [5-[hydroxymethyloxy(2-quinolin-1-ium-1-ylethoxy)phosphoryl]furan-2-yl]methyl N-octadecylcarbamate Openeye Name: [5-[hydroxymethoxy(2-quinolin-1-ium-1-ylethoxy)phosphoryl]-2-furyl]methyl N-octadecylcarbamate CAS Name: N-octadecylcarbamic acid [5-[hydroxymethoxy-[2-(1-quinolin-1-iumyl)ethoxy]phosphoryl]-2-furanyl]methyl ester IUPAC Name: [5-[hydroxymethoxy(2-quinolin-1-ium-1-ylethoxy)phosphoryl]furan-2-yl]methyl N-octadecylcarbamate Traditional Name: N-stearylcarbamic acid [5-[methyloloxy(2-quinolin-1-ium-1-ylethoxy)phosphoryl]-2-furyl]methyl ester Formula: C36H56N2O7P+ MolecularWeight: 659.812801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=CC=C(O1)P(=O)(OCC[N+]2=CC=CC3=CC=CC=C32)OCO

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)OCC1=CC=C(O1)P(=O)(OCC[N+]2=CC=CC3=CC=CC=C32)OCO

InChI

InChI=1S/C36H55N2O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-37-36(40)42-30-33-24-25-35(45-33)46(41,44-31-39)43-29-28-38-27-20-22-32-21-17-18-23-34(32)38/h17-18,20-25,27,39H,2-16,19,26,28-31H2,1H3/p+1