1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-1-ium-2-carboxylate Openeye Name: 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-1-ium-2-carboxylate CAS Name: 1-(2-ethyl-4-benzofuro[3,2-d]pyrimidinyl)-2-pyrrolidin-1-iumcarboxylate IUPAC Name: 1-(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-(2-ethylbenzofuro[3,2-d]pyrimidin-4-yl)pyrrolidin-1-ium-2-carboxylate Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCCC3C(=O)[O-])OC4=CC=CC=C42

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCCC3C(=O)[O-])OC4=CC=CC=C42

InChI

InChI=1S/C17H17N3O3/c1-2-13-18-14-10-6-3-4-8-12(10)23-15(14)16(19-13)20-9-5-7-11(20)17(21)22/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,21,22)