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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl]piperidin-1-ium-3-carboxamide Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCCC(C1)C(=O)N)C2=CC=CC=C2

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCC[C@@H](C1)C(=O)N)C2=CC=CC=C2

InChI

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