(2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: (2S)-N-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: (2S)-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-5-keto-pyrrolidine-2-carboxamide Formula: C15H23N4O2+ MolecularWeight: 291.36872

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2CCC(=O)N2

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)[C@@H]2CCC(=O)N2

InChI

InChI=1S/C15H22N4O2/c1-3-19(4-2)14-11(6-5-9-16-14)10-17-15(21)12-7-8-13(20)18-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H,17,21)(H,18,20)/p+1/t12-/m0/s1