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

Systemtic Name: [2-ethoxy-3-[oxidanyl-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate Openeye Name: [2-ethoxy-3-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxy-propyl] N-hexadecylcarbamate CAS Name: N-hexadecylcarbamic acid [2-ethoxy-3-[hydroxy-[3-(1-quinolin-1-iumylmethyl)phenoxy]phosphino]oxypropyl] ester IUPAC Name: [2-ethoxy-3-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphanyl]oxypropyl] N-hexadecylcarbamate Traditional Name: N-cetylcarbamic acid [2-ethoxy-3-[hydroxy-[3-(quinolin-1-ium-1-ylmethyl)phenoxy]phosphino]oxy-propyl] ester Formula: C38H58N2O6P+ MolecularWeight: 669.850681

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C38H57N2O6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-27-39-38(41)44-31-36(43-4-2)32-45-47(42)46-35-25-20-22-33(29-35)30-40-28-21-24-34-23-17-18-26-37(34)40/h17-18,20-26,28-29,36,42H,3-16,19,27,30-32H2,1-2H3/p+1