[3-(pyridin-1-ium-1-ylmethyl)phenyl] (4-tetradecoxyphenyl) hydrogen phosphate

Systemtic Name: [3-(pyridin-1-ium-1-ylmethyl)phenyl] (4-tetradecoxyphenyl) hydrogen phosphate Openeye Name: [3-(pyridin-1-ium-1-ylmethyl)phenyl] (4-tetradecoxyphenyl) hydrogen phosphate CAS Name: [3-(1-pyridin-1-iumylmethyl)phenyl] (4-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [3-(pyridin-1-ium-1-ylmethyl)phenyl] (4-tetradecoxyphenyl) hydrogen phosphate Traditional Name: (4-myristyloxyphenyl) [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C32H45NO5P+ MolecularWeight: 554.677161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3

InChI

InChI=1S/C32H44NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-16-26-36-30-20-22-31(23-21-30)37-39(34,35)38-32-19-17-18-29(27-32)28-33-24-14-13-15-25-33/h13-15,17-25,27H,2-12,16,26,28H2,1H3/p+1