(2S)-N-(4-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-cyanophenyl)-2-[(2R)-2-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/c1-12-5-3-4-10-19(12)13(2)16(20)18-15-8-6-14(11-17)7-9-15/h6-9,12-13H,3-5,10H2,1-2H3,(H,18,20)/p+1/t12-,13+/m1/s1