(2S)-N-(3-cyanophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(3-cyanophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3-cyanophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3-cyanophenyl)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3-cyanophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3-cyanophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O/c1-12-5-4-8-19(11-12)13(2)16(20)18-15-7-3-6-14(9-15)10-17/h3,6-7,9,12-13H,4-5,8,11H2,1-2H3,(H,18,20)/p+1/t12-,13-/m0/s1