(2S)-N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-cyanophenyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1C(C)C(=O)NC2=CC=CC=C2C#N)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1[C@@H](C)C(=O)NC2=CC=CC=C2C#N)C

InChI

InChI=1S/C17H23N3O/c1-12-7-6-8-13(2)20(12)14(3)17(21)19-16-10-5-4-9-15(16)11-18/h4-5,9-10,12-14H,6-8H2,1-3H3,(H,19,21)/p+1/t12-,13-,14-/m0/s1