(4-hexadecoxy-2-methyl-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (4-hexadecoxy-2-methyl-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (4-hexadecoxy-2-methyl-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (4-hexadecoxy-2-methylphenyl) [2-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (4-hexadecoxy-2-methylphenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (4-cetyloxy-2-methyl-phenyl) [2-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C39H53NO5P+ MolecularWeight: 646.815581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C39H52NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-43-36-27-28-38(33(2)31-36)44-46(41,42)45-39-26-19-17-23-35(39)32-40-29-21-24-34-22-16-18-25-37(34)40/h16-19,21-29,31H,3-15,20,30,32H2,1-2H3/p+1