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

Systemtic Name: (3-methyl-5-tetradecoxy-phenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Openeye Name: (3-methyl-5-tetradecoxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate CAS Name: (3-methyl-5-tetradecoxyphenyl) [2-(3-methyl-2-thiazol-3-iumyl)phenyl] hydrogen phosphate IUPAC Name: (3-methyl-5-tetradecoxyphenyl) [2-(3-methyl-1,3-thiazol-3-ium-2-yl)phenyl] hydrogen phosphate Traditional Name: (3-methyl-5-myristyloxy-phenyl) [2-(3-methylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C31H45NO5PS+ MolecularWeight: 574.731461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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