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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CCC(=O)NC2=CC=CC=C2C#N

Isomeric SMILES

C1CSCC[NH+]1CCC(=O)NC2=CC=CC=C2C#N

InChI

InChI=1S/C14H17N3OS/c15-11-12-3-1-2-4-13(12)16-14(18)5-6-17-7-9-19-10-8-17/h1-4H,5-10H2,(H,16,18)/p+1