(2S)-N-(3-chloranyl-4-cyano-phenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-cyano-phenyl)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-(4-hydroxy-1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-(4-hydroxypiperidin-1-ium-1-yl)propionamide Formula: C15H19ClN3O2+ MolecularWeight: 308.78326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)[NH+]2CCC(CC2)O

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)[NH+]2CCC(CC2)O

InChI

InChI=1S/C15H18ClN3O2/c1-10(19-6-4-13(20)5-7-19)15(21)18-12-3-2-11(9-17)14(16)8-12/h2-3,8,10,13,20H,4-7H2,1H3,(H,18,21)/p+1/t10-/m0/s1