N-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-chlorophenyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C16H24ClN2O+ MolecularWeight: 295.82756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O/c1-12-8-13(2)11-19(10-12)7-6-16(20)18-15-5-3-4-14(17)9-15/h3-5,9,12-13H,6-8,10-11H2,1-2H3,(H,18,20)/p+1/t12-,13-/m1/s1