N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C16H25N2O+ MolecularWeight: 261.3825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC=C(C=C2)NC(=O)C)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)NC(=O)C)C

InChI

InChI=1S/C16H24N2O/c1-12-8-13(2)10-18(9-12)11-15-4-6-16(7-5-15)17-14(3)19/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)/p+1/t12-,13-/m0/s1