(2R)-N-ethyl-3-(3-nitrophenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanethioamide

Systemtic Name: (2R)-N-ethyl-3-(3-nitrophenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Openeye Name: (2R)-N-ethyl-3-(3-nitrophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide CAS Name: (2R)-N-ethyl-3-(3-nitrophenyl)-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2R)-N-ethyl-3-(3-nitrophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Traditional Name: (2R)-N-ethyl-3-keto-3-(3-nitrophenyl)-2-(4-propylpyridin-1-ium-1-yl)thiopropionamide Formula: C19H22N3O3S+ MolecularWeight: 372.46128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=[N+](C=C1)C(C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)NCC

Isomeric SMILES

CCCC1=CC=[N+](C=C1)[C@H](C(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=S)NCC

InChI

InChI=1S/C19H21N3O3S/c1-3-6-14-9-11-21(12-10-14)17(19(26)20-4-2)18(23)15-7-5-8-16(13-15)22(24)25/h5,7-13,17H,3-4,6H2,1-2H3/p+1/t17-/m1/s1