(3-methyl-5-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-methyl-5-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-methyl-5-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-methyl-5-tetradecoxyphenyl) [2-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-methyl-5-tetradecoxyphenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-methyl-5-myristyloxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C33H47NO5P+ MolecularWeight: 568.703741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=CC(=C1)C)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=CC(=C1)C)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC=C3

InChI

InChI=1S/C33H46NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-19-24-37-31-25-29(2)26-32(27-31)38-40(35,36)39-33-21-16-15-20-30(33)28-34-22-17-14-18-23-34/h14-18,20-23,25-27H,3-13,19,24,28H2,1-2H3/p+1