1-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)[NH+]1CCC(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)[NH+]1CCC(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C18H27N3O2/c1-13(2)19-17(22)14(3)21-11-9-15(10-12-21)18(23)20-16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,19,22)(H,20,23)/p+1/t14-/m0/s1