(3S)-1-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidin-1-ium-3-carboxamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-12(13-6-3-2-4-7-13)18-15(20)11-19-9-5-8-14(10-19)16(17)21/h2-4,6-7,12,14H,5,8-11H2,1H3,(H2,17,21)(H,18,20)/p+1/t12-,14+/m1/s1