N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[(2S)-2-(dimethylamino)-2-phenyl-ethyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)CSC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

Isomeric SMILES

CN(C)[C@H](CNC(=O)CSC1=CC=CC=[N+]1[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H21N3O2S/c1-19(2)15(14-8-4-3-5-9-14)12-18-16(21)13-23-17-10-6-7-11-20(17)22/h3-11,15H,12-13H2,1-2H3,(H,18,21)/t15-/m1/s1