(2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3,4-dimethylphenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate

Systemtic Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3,4-dimethylphenyl)-3-oxidanylidene-N-prop-2-enyl-propanimidothioate Openeye Name: (2R)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3,4-dimethylphenyl)-3-oxo-propanimidothioate CAS Name: (2R)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(3,4-dimethylphenyl)-3-oxo-N-prop-2-enylpropanimidothioate IUPAC Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3,4-dimethylphenyl)-3-oxo-N-prop-2-enylpropanimidothioate Traditional Name: (2R)-N-allyl-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(3,4-dimethylphenyl)-3-keto-thiopropionimidate Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C(=NCC=C)[S-])[N+]2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C(=NCC=C)[S-])[N+]2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C21H25N3OS/c1-6-11-22-21(26)19(24-12-9-18(10-13-24)23(4)5)20(25)17-8-7-15(2)16(3)14-17/h6-10,12-14,19H,1,11H2,2-5H3/t19-/m1/s1