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

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

Systemtic Name:[3-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-propan-2-yloxy-propyl] N-hexadecylcarbamate
Openeye Name:[3-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-isopropoxy-propyl] N-hexadecylcarbamate
CAS Name:N-hexadecylcarbamic acid [3-[hydroxy-[3-(1-quinolin-1-iumylmethyl)phenoxy]phosphino]oxy-2-propan-2-yloxypropyl] ester
IUPAC Name:[3-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-propan-2-yloxypropyl] N-hexadecylcarbamate
Traditional Name:N-cetylcarbamic acid [3-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphino]oxy-2-isopropoxy-propyl] ester
Formula: C39H60N2O6P+
MolecularWeight: 683.877261
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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(C)C


Isomeric SMILES

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


InChI

InChI=1S/C39H59N2O6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-40-39(42)44-31-37(46-33(2)3)32-45-48(43)47-36-25-20-22-34(29-36)30-41-28-21-24-35-23-17-18-26-38(35)41/h17-18,20-26,28-29,33,37,43H,4-16,19,27,30-32H2,1-3H3/p+1


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