1-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-4-carboxamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2/c1-13(14-5-3-2-4-6-14)11-19-16(21)12-20-9-7-15(8-10-20)17(18)22/h2-6,13,15H,7-12H2,1H3,(H2,18,22)(H,19,21)/p+1/t13-/m1/s1