(2R)-3-(4-chlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate

Systemtic Name: (2R)-3-(4-chlorophenyl)-3-oxidanylidene-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Openeye Name: (2R)-N-allyl-3-(4-chlorophenyl)-3-oxo-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate CAS Name: (2R)-3-(4-chlorophenyl)-3-oxo-N-prop-2-enyl-2-(4-propyl-1-pyridin-1-iumyl)propanimidothioate IUPAC Name: (2R)-3-(4-chlorophenyl)-3-oxo-N-prop-2-enyl-2-(4-propylpyridin-1-ium-1-yl)propanimidothioate Traditional Name: (2R)-N-allyl-3-(4-chlorophenyl)-3-keto-2-(4-propylpyridin-1-ium-1-yl)thiopropionimidate Formula: C20H21ClN2OS MolecularWeight: 372.91154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2OS/c1-3-5-15-10-13-23(14-11-15)18(20(25)22-12-4-2)19(24)16-6-8-17(21)9-7-16/h4,6-11,13-14,18H,2-3,5,12H2,1H3/t18-/m1/s1