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

Systemtic Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-tetradecoxyphenyl) hydrogen phosphate Openeye Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-tetradecoxyphenyl) hydrogen phosphate CAS Name: [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] (3-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-tetradecoxyphenyl) hydrogen phosphate Traditional Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-myristyloxyphenyl) hydrogen phosphate Formula: C31H45NO5PS+ MolecularWeight: 574.731461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44NO5PS/c1-4-5-6-7-8-9-10-11-12-13-14-17-23-35-27-19-18-20-28(24-27)36-38(33,34)37-30-22-16-15-21-29(30)31-32(3)26(2)25-39-31/h15-16,18-22,24-25H,4-14,17,23H2,1-3H3/p+1