(2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-(4-ethylphenyl)-3-oxidanylidene-propanimidothioate

Systemtic Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-(4-ethylphenyl)-3-oxidanylidene-propanimidothioate Openeye Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-(4-ethylphenyl)-3-oxo-propanimidothioate CAS Name: (2R)-2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-ethyl-3-(4-ethylphenyl)-3-oxopropanimidothioate IUPAC Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-(4-ethylphenyl)-3-oxopropanimidothioate Traditional Name: (2R)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-ethyl-3-(4-ethylphenyl)-3-keto-thiopropionimidate Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C(=NCC)[S-])[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C(=NCC)[S-])[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C20H25N3OS/c1-5-15-7-9-16(10-8-15)19(24)18(20(25)21-6-2)23-13-11-17(12-14-23)22(3)4/h7-14,18H,5-6H2,1-4H3/t18-/m1/s1