(3-hexadecoxyphenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-hexadecoxyphenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-hexadecoxyphenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-hexadecoxyphenyl) [3-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-hexadecoxyphenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-cetyloxyphenyl) [3-(pyridin-1-ium-1-ylmethyl)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(=C2)C[N+]3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3

InChI

InChI=1S/C34H48NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-38-32-22-20-24-34(29-32)40-41(36,37)39-33-23-19-21-31(28-33)30-35-25-16-15-17-26-35/h15-17,19-26,28-29H,2-14,18,27,30H2,1H3/p+1