[2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (5-methyl-2-tetradecoxy-phenyl) hydrogen phosphate

Systemtic Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (5-methyl-2-tetradecoxy-phenyl) hydrogen phosphate Openeye Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (5-methyl-2-tetradecoxy-phenyl) hydrogen phosphate CAS Name: [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] (5-methyl-2-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (5-methyl-2-tetradecoxyphenyl) hydrogen phosphate Traditional Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (5-methyl-2-myristyloxy-phenyl) hydrogen phosphate Formula: C32H47NO5PS+ MolecularWeight: 588.758041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C

InChI

InChI=1S/C32H46NO5PS/c1-5-6-7-8-9-10-11-12-13-14-15-18-23-36-30-22-21-26(2)24-31(30)38-39(34,35)37-29-20-17-16-19-28(29)32-33(4)27(3)25-40-32/h16-17,19-22,24-25H,5-15,18,23H2,1-4H3/p+1