[2-(1-methylpyridin-1-ium-2-yl)phenyl] (3-methyl-5-tetradecoxy-phenyl) hydrogen phosphate

Systemtic Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (3-methyl-5-tetradecoxy-phenyl) hydrogen phosphate Openeye Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (3-methyl-5-tetradecoxy-phenyl) hydrogen phosphate CAS Name: [2-(1-methyl-2-pyridin-1-iumyl)phenyl] (3-methyl-5-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(1-methylpyridin-1-ium-2-yl)phenyl] (3-methyl-5-tetradecoxyphenyl) hydrogen phosphate Traditional Name: (3-methyl-5-myristyloxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)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=C2C3=CC=CC=[N+]3C

Isomeric SMILES

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

InChI

InChI=1S/C33H46NO5P/c1-4-5-6-7-8-9-10-11-12-13-14-19-24-37-29-25-28(2)26-30(27-29)38-40(35,36)39-33-22-16-15-20-31(33)32-21-17-18-23-34(32)3/h15-18,20-23,25-27H,4-14,19,24H2,1-3H3/p+1