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

Systemtic Name: [3-[(2,4-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-tetradecoxy-phenyl) hydrogen phosphate Openeye Name: [3-[(2,4-dimethylthiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-tetradecoxy-phenyl) hydrogen phosphate CAS Name: [3-[(2,4-dimethyl-3-thiazol-3-iumyl)methyl]phenyl] (2-methoxy-3-tetradecoxyphenyl) hydrogen phosphate IUPAC Name: [3-[(2,4-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-tetradecoxyphenyl) hydrogen phosphate Traditional Name: [3-[(2,4-dimethylthiazol-3-ium-3-yl)methyl]phenyl] (2-methoxy-3-myristyloxy-phenyl) hydrogen phosphate Formula: C33H49NO6PS+ MolecularWeight: 618.784021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=C(SC=C3C)C)OC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC(=C2)C[N+]3=C(SC=C3C)C)OC

InChI

InChI=1S/C33H48NO6PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-23-38-31-21-18-22-32(33(31)37-4)40-41(35,36)39-30-20-17-19-29(24-30)25-34-27(2)26-42-28(34)3/h17-22,24,26H,5-16,23,25H2,1-4H3/p+1