(2S)-1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]-N-phenyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-oxo-2-(prop-2-ynylamino)ethyl]-N-phenylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-keto-2-(propargylamino)ethyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CCCC1C(=O)NC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2/c1-2-10-17-15(20)12-19-11-6-9-14(19)16(21)18-13-7-4-3-5-8-13/h1,3-5,7-8,14H,6,9-12H2,(H,17,20)(H,18,21)/p+1/t14-/m0/s1