[(2S)-2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C19H24BrN2OS+ MolecularWeight: 408.37566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C19H23BrN2OS/c1-14-11-16(20)9-10-18(14)24-13-19(23)21-17(12-22(2)3)15-7-5-4-6-8-15/h4-11,17H,12-13H2,1-3H3,(H,21,23)/p+1/t17-/m1/s1