3-(4-bromanyl-2-carbamothioyl-6-methoxy-phenoxy)propyl-dimethyl-azanium

Systemtic Name: 3-(4-bromanyl-2-carbamothioyl-6-methoxy-phenoxy)propyl-dimethyl-azanium Openeye Name: 3-(4-bromo-2-carbamothioyl-6-methoxy-phenoxy)propyl-dimethyl-ammonium CAS Name: 3-(4-bromo-2-carbamothioyl-6-methoxyphenoxy)propyl-dimethylammonium IUPAC Name: 3-(4-bromo-2-carbamothioyl-6-methoxyphenoxy)propyl-dimethylazanium Traditional Name: 3-(4-bromo-2-methoxy-6-thiocarbamoyl-phenoxy)propyl-dimethyl-ammonium Formula: C13H20BrN2O2S+ MolecularWeight: 348.2791

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=C(C=C1C(=S)N)Br)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=C(C=C1C(=S)N)Br)OC

InChI

InChI=1S/C13H19BrN2O2S/c1-16(2)5-4-6-18-12-10(13(15)19)7-9(14)8-11(12)17-3/h7-8H,4-6H2,1-3H3,(H2,15,19)/p+1