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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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