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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C=C(S3)C)C)C

InChI

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