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

Systemtic Name: (3-chloranyl-2-tetradecoxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-2-tetradecoxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-chloro-2-tetradecoxyphenyl) [2-(1-methyl-2-pyridin-1-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-2-tetradecoxyphenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-chloro-2-myristyloxy-phenyl) [2-(1-methylpyridin-1-ium-2-yl)phenyl] hydrogen phosphate Formula: C32H44ClNO5P+ MolecularWeight: 589.122221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1Cl)OP(=O)(O)OC2=CC=CC=C2C3=CC=CC=[N+]3C

InChI

InChI=1S/C32H43ClNO5P/c1-3-4-5-6-7-8-9-10-11-12-13-18-26-37-32-28(33)21-19-24-31(32)39-40(35,36)38-30-23-15-14-20-27(30)29-22-16-17-25-34(29)2/h14-17,19-25H,3-13,18,26H2,1-2H3/p+1