(3-chloranyl-4-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-chloranyl-4-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-chloro-4-tetradecoxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-chloro-4-tetradecoxyphenyl) [2-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-chloro-4-tetradecoxyphenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-chloro-4-myristyloxy-phenyl) [2-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C32H44ClNO5P+ MolecularWeight: 589.122221

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC=C3)Cl

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C[N+]3=CC=CC=C3)Cl

InChI

InChI=1S/C32H43ClNO5P/c1-2-3-4-5-6-7-8-9-10-11-12-18-25-37-32-22-21-29(26-30(32)33)38-40(35,36)39-31-20-15-14-19-28(31)27-34-23-16-13-17-24-34/h13-17,19-24,26H,2-12,18,25,27H2,1H3/p+1