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

Systemtic Name: 3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: N-(benzylcarbamoyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide CAS Name: 3-[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(benzylcarbamoyl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]propionamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC(=O)NCC2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CCC(=O)NC(=O)NCC2=CC=CC=C2)C

InChI

InChI=1S/C18H27N3O2/c1-14-10-15(2)13-21(12-14)9-8-17(22)20-18(23)19-11-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,19,20,22,23)/p+1/t14-,15-/m1/s1