dimethyl-[(1S)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]-1-phenylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]-1-phenyl-ethyl]ammonium Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+](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)/p+1/t15-/m1/s1