(2S)-2-(1,3-benzothiazol-2-yl)-4-morpholin-4-ium-4-yl-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-morpholin-4-ium-4-yl-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-morpholin-4-ium-4-yl-3-oxo-butanenitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-(4-morpholin-4-iumyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-4-morpholin-4-ium-4-yl-3-oxobutanenitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-3-keto-4-morpholin-4-ium-4-yl-butyronitrile Formula: C15H16N3O2S+ MolecularWeight: 302.37144

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1COCC[NH+]1CC(=O)[C@H](C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C15H15N3O2S/c16-9-11(13(19)10-18-5-7-20-8-6-18)15-17-12-3-1-2-4-14(12)21-15/h1-4,11H,5-8,10H2/p+1/t11-/m0/s1