[3-hexadecoxy-2-(2-methylpropoxy)propyl] [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-hexadecoxy-2-(2-methylpropoxy)propyl] [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-isobutoxy-propyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-hexadecoxy-2-(2-methylpropoxy)propyl] [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-hexadecoxy-2-(2-methylpropoxy)propyl] [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-isobutoxy-propyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C39H61NO6P+ MolecularWeight: 670.878501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OCC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OCC(C)C

InChI

InChI=1S/C39H60NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-43-32-37(44-31-34(2)3)33-45-47(41,42)46-39-27-20-18-24-36(39)30-40-28-22-25-35-23-17-19-26-38(35)40/h17-20,22-28,34,37H,4-16,21,29-33H2,1-3H3/p+1