(3R)-1-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH+]1CCCC(C1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O2/c1-3-11-19-17(22)14(2)21-12-7-8-15(13-21)18(23)20-16-9-5-4-6-10-16/h3-6,9-10,14-15H,1,7-8,11-13H2,2H3,(H,19,22)(H,20,23)/p+1/t14-,15+/m0/s1