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

Systemtic Name: (2S)-1-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(4-cyanoanilino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-(4-cyanoanilino)-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-(4-cyanoanilino)-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-(4-cyanoanilino)-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C15H19N4O2+ MolecularWeight: 287.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)N)CC(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)N)CC(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H18N4O2/c16-9-11-4-6-12(7-5-11)18-14(20)10-19-8-2-1-3-13(19)15(17)21/h4-7,13H,1-3,8,10H2,(H2,17,21)(H,18,20)/p+1/t13-/m0/s1