(4-tert-butylphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (4-tert-butylphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (4-tert-butylphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (4-tert-butylphenyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (4-tert-butylphenyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (4-tert-butylphenyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C20H23NO4PS+ MolecularWeight: 404.439681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22NO4PS/c1-20(2,3)17-7-9-18(10-8-17)24-26(22,23)25-19-6-4-5-16(13-19)14-21-11-12-27-15-21/h4-13,15H,14H2,1-3H3/p+1