dimethyl-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-sulfanylcarbonyl-azanium

Systemtic Name: dimethyl-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-sulfanylcarbonyl-azanium Openeye Name: dimethyl-[4-[2-(2-phenyloxazol-4-yl)ethoxy]phenyl]-sulfanylcarbonyl-ammonium CAS Name: [mercapto(oxo)methyl]-dimethyl-[4-[2-(2-phenyl-4-oxazolyl)ethoxy]phenyl]ammonium IUPAC Name: dimethyl-[4-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-sulfanylcarbonylazanium Traditional Name: dimethyl-[4-[2-(2-phenyloxazol-4-yl)ethoxy]phenyl]-thiocarboxy-ammonium Formula: C20H21N2O3S+ MolecularWeight: 369.45734

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=C(C=C1)OCCC2=COC(=N2)C3=CC=CC=C3)C(=O)S

Isomeric SMILES

C[N+](C)(C1=CC=C(C=C1)OCCC2=COC(=N2)C3=CC=CC=C3)C(=O)S

InChI

InChI=1S/C20H20N2O3S/c1-22(2,20(23)26)17-8-10-18(11-9-17)24-13-12-16-14-25-19(21-16)15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3/p+1