2-ethyl-4-pyrrolidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride

Systemtic Name: 2-ethyl-4-pyrrolidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 2-ethyl-4-pyrrolidin-1-ium-1-yl-benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-ethyl-4-(1-pyrrolidin-1-iumyl)benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-ethyl-4-pyrrolidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 2-ethyl-4-pyrrolidin-1-ium-1-yl-benzofuro[3,2-d]pyrimidine chloride Formula: C16H18ClN3O MolecularWeight: 303.78662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCCC3)OC4=CC=CC=C42.[Cl-]

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCCC3)OC4=CC=CC=C42.[Cl-]

InChI

InChI=1S/C16H17N3O.ClH/c1-2-13-17-14-11-7-3-4-8-12(11)20-15(14)16(18-13)19-9-5-6-10-19;/h3-4,7-8H,2,5-6,9-10H2,1H3;1H