1-[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[[(2R)-2-phenylbutyl]amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C19H30N3O2+ MolecularWeight: 332.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)[NH+]1CCC(CC1)C(=O)N)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2/c1-3-15(16-7-5-4-6-8-16)13-21-19(24)14(2)22-11-9-17(10-12-22)18(20)23/h4-8,14-15,17H,3,9-13H2,1-2H3,(H2,20,23)(H,21,24)/p+1/t14-,15-/m0/s1