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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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