(2R)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanimidothioate

Systemtic Name: (2R)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-3-thiophen-2-yl-propanimidothioate Openeye Name: (2R)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-2-pyridin-1-ium-1-yl-3-(2-thienyl)propanimidothioate CAS Name: (2R)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-2-(1-pyridin-1-iumyl)-3-thiophen-2-ylpropanimidothioate IUPAC Name: (2R)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-2-pyridin-1-ium-1-yl-3-thiophen-2-ylpropanimidothioate Traditional Name: (2R)-3-keto-N-(2-morpholin-4-ium-4-ylethyl)-2-pyridin-1-ium-1-yl-3-(2-thienyl)thiopropionimidate Formula: C18H22N3O2S2+ MolecularWeight: 376.51618

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN=C(C(C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)[S-]

Isomeric SMILES

C1COCC[NH+]1CCN=C([C@@H](C(=O)C2=CC=CS2)[N+]3=CC=CC=C3)[S-]

InChI

InChI=1S/C18H21N3O2S2/c22-17(15-5-4-14-25-15)16(21-7-2-1-3-8-21)18(24)19-6-9-20-10-12-23-13-11-20/h1-5,7-8,14,16H,6,9-13H2/p+1/t16-/m1/s1