(2-methoxy-4-tetradecoxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-4-tetradecoxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (2-methoxy-4-tetradecoxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (2-methoxy-4-tetradecoxyphenyl) [2-(1-methyl-2-pyridin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-4-tetradecoxyphenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (2-methoxy-4-myristyloxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)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=C2C3=CC=CC=[N+]3C)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C)OC

InChI

InChI=1S/C33H46NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-38-28-23-24-32(33(27-28)37-3)40-41(35,36)39-31-22-16-15-20-29(31)30-21-17-18-25-34(30)2/h15-18,20-25,27H,4-14,19,26H2,1-3H3/p+1