(2S)-1-[2-methyl-3-(1-phenylpyridin-1-ium-2-yl)sulfanyl-propanoyl]pyrrolidine-2-carbonyl bromide

Systemtic Name: (2S)-1-[2-methyl-3-(1-phenylpyridin-1-ium-2-yl)sulfanyl-propanoyl]pyrrolidine-2-carbonyl bromide Openeye Name: (2S)-1-[2-methyl-3-(1-phenylpyridin-1-ium-2-yl)sulfanyl-propanoyl]pyrrolidine-2-carbonyl bromide CAS Name: (2S)-1-[2-methyl-1-oxo-3-[(1-phenyl-2-pyridin-1-iumyl)thio]propyl]-2-pyrrolidinecarbonyl bromide IUPAC Name: (2S)-1-[2-methyl-3-(1-phenylpyridin-1-ium-2-yl)sulfanylpropanoyl]pyrrolidine-2-carbonyl bromide Traditional Name: (2S)-1-[2-methyl-3-[(1-phenylpyridin-1-ium-2-yl)thio]propanoyl]pyrrolidine-2-carbonyl bromide Formula: C20H22BrN2O2S+ MolecularWeight: 434.36988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=[N+]1C2=CC=CC=C2)C(=O)N3CCCC3C(=O)Br

Isomeric SMILES

CC(CSC1=CC=CC=[N+]1C2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)Br

InChI

InChI=1S/C20H22BrN2O2S/c1-15(20(25)23-13-7-10-17(23)19(21)24)14-26-18-11-5-6-12-22(18)16-8-3-2-4-9-16/h2-6,8-9,11-12,15,17H,7,10,13-14H2,1H3/q+1/t15?,17-/m0/s1