N-(3-cyanophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyanophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(3-cyanophenyl)-3-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-cyanophenyl)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyanophenyl)-3-[(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+]1CCC(=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O/c1-13-5-3-6-14(2)20(13)10-9-17(21)19-16-8-4-7-15(11-16)12-18/h4,7-8,11,13-14H,3,5-6,9-10H2,1-2H3,(H,19,21)/p+1/t13-,14-/m0/s1