1-[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(1S)-2-(diethylamino)-2-oxidanylidene-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(diethylamino)-2-oxo-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(diethylamino)-2-keto-1-phenyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(C1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

CCN(CC)C(=O)[C@H](C1=CC=CC=C1)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C18H27N3O2/c1-3-20(4-2)18(23)16(14-8-6-5-7-9-14)21-12-10-15(11-13-21)17(19)22/h5-9,15-16H,3-4,10-13H2,1-2H3,(H2,19,22)/p+1/t16-/m0/s1