(2S)-N-(3-cyanophenyl)-2-thiomorpholin-4-ium-4-yl-propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-thiomorpholin-4-ium-4-yl-propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-thiomorpholin-4-ium-4-yl-propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-(4-thiomorpholin-4-iumyl)propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-thiomorpholin-4-ium-4-ylpropanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-thiomorpholin-4-ium-4-yl-propionamide Formula: C14H18N3OS+ MolecularWeight: 276.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCSCC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC(=C1)C#N)[NH+]2CCSCC2

InChI

InChI=1S/C14H17N3OS/c1-11(17-5-7-19-8-6-17)14(18)16-13-4-2-3-12(9-13)10-15/h2-4,9,11H,5-8H2,1H3,(H,16,18)/p+1/t11-/m0/s1