[2-methoxy-3-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate

Systemtic Name: [2-methoxy-3-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate Openeye Name: [3-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-methoxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [3-[hydroxy-[3-(1-quinolin-1-iumylmethyl)phenoxy]phosphino]oxy-2-methoxypropyl] ester IUPAC Name: [3-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-methoxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [3-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphino]oxy-2-methoxy-propyl] ester Formula: C37H56N2O6P+ MolecularWeight: 655.824101

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)OC1=CC=CC(=C1)C[N+]2=CC=CC3=CC=CC=C32)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)OCC(COP(O)OC1=CC=CC(=C1)C[N+]2=CC=CC3=CC=CC=C32)OC

InChI

InChI=1S/C37H55N2O6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-38-37(40)43-30-35(42-2)31-44-46(41)45-34-24-19-21-32(28-34)29-39-27-20-23-33-22-16-17-25-36(33)39/h16-17,19-25,27-28,35,41H,3-15,18,26,29-31H2,1-2H3/p+1