(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-[3-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[2-(3-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-[2-keto-2-[3-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

C[NH+](CC1=C(C=CC(=C1)Br)OC)CC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H21BrN2O2S/c1-21(11-13-9-14(19)7-8-17(13)23-2)12-18(22)20-15-5-4-6-16(10-15)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)/p+1