(3-hexadecoxy-2-methoxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxy-2-methoxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methoxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methoxypropyl) [4-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methoxypropyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methoxy-propyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C36H55NO6P+ MolecularWeight: 628.798761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H54NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28-41-30-35(40-2)31-42-44(38,39)43-34-25-23-32(24-26-34)29-37-27-19-21-33-20-16-17-22-36(33)37/h16-17,19-27,35H,3-15,18,28-31H2,1-2H3/p+1