4-azanyl-1-ethanoyl-5-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-azanyl-1-ethanoyl-5-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-acetyl-4-amino-5-oxo-4-(pyridin-1-ium-1-ylmethyl)pyrrolidine-2-carboxylic acid CAS Name: 1-acetyl-4-amino-5-oxo-4-(1-pyridin-1-iumylmethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-acetyl-4-amino-5-oxo-4-(pyridin-1-ium-1-ylmethyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-acetyl-4-amino-5-keto-4-(pyridin-1-ium-1-ylmethyl)proline Formula: C13H16N3O4+ MolecularWeight: 278.28384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(C1=O)(C[N+]2=CC=CC=C2)N)C(=O)O

Isomeric SMILES

CC(=O)N1C(CC(C1=O)(C[N+]2=CC=CC=C2)N)C(=O)O

InChI

InChI=1S/C13H15N3O4/c1-9(17)16-10(11(18)19)7-13(14,12(16)20)8-15-5-3-2-4-6-15/h2-6,10H,7-8,14H2,1H3/p+1