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

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

Isomeric SMILES

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

InChI

InChI=1S/C32H44NO5P/c1-3-4-5-6-7-8-9-10-11-12-13-18-27-36-28-22-24-29(25-23-28)37-39(34,35)38-32-21-15-14-19-30(32)31-20-16-17-26-33(31)2/h14-17,19-26H,3-13,18,27H2,1-2H3/p+1