(3-methoxy-5-tetradecoxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-methoxy-5-tetradecoxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-methoxy-5-tetradecoxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-methoxy-5-tetradecoxyphenyl) [3-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-methoxy-5-tetradecoxyphenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-methoxy-5-myristyloxy-phenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C33H47NO6P+ MolecularWeight: 584.703141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=CC(=C1)OC)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3

InChI

InChI=1S/C33H46NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-17-23-38-32-25-31(37-2)26-33(27-32)40-41(35,36)39-30-20-18-19-29(24-30)28-34-21-15-14-16-22-34/h14-16,18-22,24-27H,3-13,17,23,28H2,1-2H3/p+1