(2-methoxy-4-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-4-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-methoxy-4-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-methoxy-4-tetradecoxyphenyl) [2-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-4-tetradecoxyphenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-methoxy-4-myristyloxy-phenyl) [2-(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(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC=C3)OC

Isomeric SMILES

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

InChI

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