[3-[oxidanyl-[4-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-propan-2-yloxy-propyl] N-hexadecylcarbamate

Systemtic Name: [3-[oxidanyl-[4-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-propan-2-yloxy-propyl] N-hexadecylcarbamate Openeye Name: [3-[hydroxy-[4-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-isopropoxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [3-[hydroxy-[4-(1-quinolin-1-iumylmethyl)phenoxy]phosphino]oxy-2-propan-2-yloxypropyl] ester IUPAC Name: [3-[hydroxy-[4-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-2-propan-2-yloxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [3-[hydroxy-[4-(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=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32)OC(C)C

Isomeric SMILES

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

InChI

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