(2-hexadecoxy-5-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-hexadecoxy-5-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-hexadecoxy-5-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-hexadecoxy-5-methoxyphenyl) [3-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-hexadecoxy-5-methoxyphenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-cetyloxy-5-methoxy-phenyl) [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C39H53NO6P+ MolecularWeight: 662.814981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H52NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-29-44-38-27-26-35(43-2)31-39(38)46-47(41,42)45-36-24-19-21-33(30-36)32-40-28-20-23-34-22-16-17-25-37(34)40/h16-17,19-28,30-31H,3-15,18,29,32H2,1-2H3/p+1