(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide

Systemtic Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide Openeye Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide CAS Name: (2R)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(4-ethylphenyl)propanamide IUPAC Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethylphenyl)propanamide Traditional Name: (2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-ethylphenyl)propionamide Formula: C18H29N2O+ MolecularWeight: 289.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CC(CC(C2)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@@H](C)[NH+]2C[C@H](C[C@@H](C2)C)C

InChI

InChI=1S/C18H28N2O/c1-5-16-6-8-17(9-7-16)19-18(21)15(4)20-11-13(2)10-14(3)12-20/h6-9,13-15H,5,10-12H2,1-4H3,(H,19,21)/p+1/t13-,14-,15+/m0/s1