(2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-acetamide CAS Name: (2S)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(ethylcarbamoyl)-2-phenylacetamide IUPAC Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenylacetamide Traditional Name: (2S)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(ethylcarbamoyl)-2-phenyl-acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-4-19-18(23)20-17(22)16(15-8-6-5-7-9-15)21-11-13(2)10-14(3)12-21/h5-9,13-14,16H,4,10-12H2,1-3H3,(H2,19,20,22,23)/p+1/t13-,14-,16-/m0/s1