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

Systemtic Name: (3-hexadecoxy-2-methyl-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxy-2-methyl-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxy-2-methylphenyl) [3-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-methylphenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxy-2-methyl-phenyl) [3-(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(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

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

InChI

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