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

Systemtic Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-methyl-phenyl) hydrogen phosphate Openeye Name: [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-methyl-phenyl) hydrogen phosphate CAS Name: [2-(3,4-dimethyl-2-thiazol-3-iumyl)phenyl] (3-hexadecoxy-2-methylphenyl) hydrogen phosphate IUPAC Name: [2-(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)phenyl] (3-hexadecoxy-2-methylphenyl) hydrogen phosphate Traditional Name: (3-cetyloxy-2-methyl-phenyl) [2-(3,4-dimethylthiazol-3-ium-2-yl)phenyl] hydrogen phosphate Formula: C34H51NO5PS+ MolecularWeight: 616.811201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C(=CC=C1)OP(=O)(O)OC2=CC=CC=C2C3=[N+](C(=CS3)C)C)C

InChI

InChI=1S/C34H50NO5PS/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-38-31-24-21-25-32(29(31)3)39-41(36,37)40-33-23-19-18-22-30(33)34-35(4)28(2)27-42-34/h18-19,21-25,27H,5-17,20,26H2,1-4H3/p+1