(3-hexadecoxyphenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxyphenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxyphenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxyphenyl) [2-(1-methyl-2-pyridin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxyphenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxyphenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C34H49NO5P+ MolecularWeight: 582.730321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C

InChI

InChI=1S/C34H48NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-38-30-22-21-23-31(29-30)39-41(36,37)40-34-26-17-16-24-32(34)33-25-18-19-27-35(33)2/h16-19,21-27,29H,3-15,20,28H2,1-2H3/p+1