(2S)-3-(5-chloranylthiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide

Systemtic Name: (2S)-3-(5-chloranylthiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-2-pyridin-1-ium-1-yl-propanethioamide Openeye Name: (2S)-3-(5-chloro-2-thienyl)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-2-pyridin-1-ium-1-yl-propanethioamide CAS Name: (2S)-3-(5-chloro-2-thiophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-2-(1-pyridin-1-iumyl)propanethioamide IUPAC Name: (2S)-3-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-2-pyridin-1-ium-1-ylpropanethioamide Traditional Name: (2S)-3-(5-chloro-2-thienyl)-3-keto-N-(2-morpholin-4-ium-4-ylethyl)-2-pyridin-1-ium-1-yl-thiopropionamide Formula: C18H22ClN3O2S2+2 MolecularWeight: 411.96918

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)C(C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)[C@H](C(=O)C2=CC=C(S2)Cl)[N+]3=CC=CC=C3

InChI

InChI=1S/C18H20ClN3O2S2/c19-15-5-4-14(26-15)17(23)16(22-7-2-1-3-8-22)18(25)20-6-9-21-10-12-24-13-11-21/h1-5,7-8,16H,6,9-13H2/p+2/t16-/m0/s1