2-azanyl-6-[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(1R)-2-morpholin-4-yl-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(1R)-2-morpholino-2-oxo-1-phenyl-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(1R)-2-(4-morpholinyl)-2-oxo-1-phenylethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(1R)-2-keto-2-morpholino-1-phenyl-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C19H18N5O2S+ MolecularWeight: 380.44352

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(C2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1COCCN1C(=O)[C@@H](C2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C19H17N5O2S/c20-11-14-10-15(12-21)18(23-17(14)22)27-16(13-4-2-1-3-5-13)19(25)24-6-8-26-9-7-24/h1-5,10,16H,6-9H2,(H2,22,23)/p+1/t16-/m1/s1