N-(3-cyanophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyanophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(3-cyanophenyl)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-cyanophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyanophenyl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=CC=CC(=C2)C#N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O/c1-13-8-14(2)12-20(11-13)7-6-17(21)19-16-5-3-4-15(9-16)10-18/h3-5,9,13-14H,6-8,11-12H2,1-2H3,(H,19,21)/p+1/t13-,14-/m0/s1