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

Systemtic Name: 2-ethyl-4-piperidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 2-ethyl-4-piperidin-1-ium-1-yl-benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-ethyl-4-(1-piperidin-1-iumyl)benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-ethyl-4-piperidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 2-ethyl-4-piperidin-1-ium-1-yl-benzofuro[3,2-d]pyrimidine chloride Formula: C17H20ClN3O MolecularWeight: 317.8132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C(=N1)[NH+]3CCCCC3)OC4=CC=CC=C42.[Cl-]

Isomeric SMILES

CCC1=NC2=C(C(=N1)[NH+]3CCCCC3)OC4=CC=CC=C42.[Cl-]

InChI

InChI=1S/C17H19N3O.ClH/c1-2-14-18-15-12-8-4-5-9-13(12)21-16(15)17(19-14)20-10-6-3-7-11-20;/h4-5,8-9H,2-3,6-7,10-11H2,1H3;1H