(2-hexadecoxy-5-methyl-phenyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-hexadecoxy-5-methyl-phenyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-hexadecoxy-5-methyl-phenyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-hexadecoxy-5-methylphenyl) [4-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-hexadecoxy-5-methylphenyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-cetyloxy-5-methyl-phenyl) [4-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C39H53NO5P+ MolecularWeight: 646.815581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C)OP(=O)(O)OC2=CC=C(C=C2)C[N+]3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C)OP(=O)(O)OC2=CC=C(C=C2)C[N+]3=CC=CC4=CC=CC=C43

InChI

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