(3-tetradecoxyphenyl)methyl [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (3-tetradecoxyphenyl)methyl [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (3-tetradecoxyphenyl)methyl [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (3-tetradecoxyphenyl)methyl [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (3-tetradecoxyphenyl)methyl [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-myristyloxybenzyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C31H45NO5PS+ MolecularWeight: 574.731461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3

InChI

InChI=1S/C31H44NO5PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-21-35-30-18-15-17-29(24-30)26-36-38(33,34)37-31-19-14-16-28(23-31)25-32-20-22-39-27-32/h14-20,22-24,27H,2-13,21,25-26H2,1H3/p+1