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

Systemtic Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-oxidanylidene-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Openeye Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide CAS Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-oxo-2-(4-propyl-1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanethioamide Traditional Name: (2R)-N-ethyl-3-(4-ethylphenyl)-3-keto-2-(4-propylpyridin-1-ium-1-yl)thiopropionamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS/c1-4-7-17-12-14-23(15-13-17)19(21(25)22-6-3)20(24)18-10-8-16(5-2)9-11-18/h8-15,19H,4-7H2,1-3H3/p+1/t19-/m1/s1