1-[3-(2-ethanoylpyrrolidin-1-yl)-3-oxidanylidene-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]propyl]pyridin-1-ium-3-carboximidate

Systemtic Name: 1-[3-(2-ethanoylpyrrolidin-1-yl)-3-oxidanylidene-2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylamino]propyl]pyridin-1-ium-3-carboximidate Openeye Name: 1-[3-(2-acetylpyrrolidin-1-yl)-3-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]propyl]pyridin-1-ium-3-carboximidate CAS Name: 1-[3-(2-acetyl-1-pyrrolidinyl)-3-oxo-2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]amino]propyl]-3-pyridin-1-iumcarboximidate IUPAC Name: 1-[3-(2-acetylpyrrolidin-1-yl)-3-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]propyl]pyridin-1-ium-3-carboximidate Traditional Name: 1-[3-(2-acetylpyrrolidino)-3-keto-2-(pyroglutamoylamino)propyl]pyridin-1-ium-3-carboximidate Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CCCN1C(=O)C(C[N+]2=CC=CC(=C2)C(=N)[O-])NC(=O)C3CCC(=O)N3

Isomeric SMILES

CC(=O)C1CCCN1C(=O)C(C[N+]2=CC=CC(=C2)C(=N)[O-])NC(=O)C3CCC(=O)N3

InChI

InChI=1S/C20H25N5O5/c1-12(26)16-5-3-9-25(16)20(30)15(23-19(29)14-6-7-17(27)22-14)11-24-8-2-4-13(10-24)18(21)28/h2,4,8,10,14-16H,3,5-7,9,11H2,1H3,(H3-,21,22,23,27,28,29)