(2S)-N-(3-chloranyl-4-cyano-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-cyano-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-chloro-4-cyanophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-chloro-4-cyano-phenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H21ClN3O+ MolecularWeight: 306.81044

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H20ClN3O/c1-11-4-3-7-20(10-11)12(2)16(21)19-14-6-5-13(9-18)15(17)8-14/h5-6,8,11-12H,3-4,7,10H2,1-2H3,(H,19,21)/p+1/t11-,12-/m0/s1