(3-methyl-5-tetradecoxy-phenyl) [4-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-methyl-5-tetradecoxy-phenyl) [4-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-methyl-5-tetradecoxy-phenyl) [4-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-methyl-5-tetradecoxyphenyl) [4-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-methyl-5-tetradecoxyphenyl) [4-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-methyl-5-myristyloxy-phenyl) [4-(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=C(C=C2)C[N+]3=CC=CC=C3

Isomeric SMILES

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

InChI

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