(3S)-1-[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-3-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)[NH+]2CCCC(C2)C(=O)N

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)[NH+]2CCC[C@@H](C2)C(=O)N

InChI

InChI=1S/C18H27N3O2/c1-3-20(4-2)18(23)16(14-9-6-5-7-10-14)21-12-8-11-15(13-21)17(19)22/h5-7,9-10,15-16H,3-4,8,11-13H2,1-2H3,(H2,19,22)/p+1/t15-,16-/m0/s1