[4-[5-(2-bromanyl-5-methoxy-phenyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfo-azanium

Systemtic Name: [4-[5-(2-bromanyl-5-methoxy-phenyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfo-azanium Openeye Name: [4-[5-(2-bromo-5-methoxy-phenyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfo-ammonium CAS Name: [4-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfoammonium IUPAC Name: [4-[5-(2-bromo-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfoazanium Traditional Name: [4-[5-(2-bromo-5-methoxy-phenyl)-1,2,4-oxadiazol-3-yl]phenyl]-dimethyl-sulfo-ammonium Formula: C17H17BrN3O5S+ MolecularWeight: 455.30298

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C1=CC=C(C=C1)C2=NOC(=N2)C3=C(C=CC(=C3)OC)Br)S(=O)(=O)O

Isomeric SMILES

C[N+](C)(C1=CC=C(C=C1)C2=NOC(=N2)C3=C(C=CC(=C3)OC)Br)S(=O)(=O)O

InChI

InChI=1S/C17H16BrN3O5S/c1-21(2,27(22,23)24)12-6-4-11(5-7-12)16-19-17(26-20-16)14-10-13(25-3)8-9-15(14)18/h4-10H,1-3H3/p+1