4-(azepan-1-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride

Systemtic Name: 4-(azepan-1-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 4-(azepan-1-ium-1-yl)benzofuro[3,2-d]pyrimidine chloride CAS Name: 4-(1-azepan-1-iumyl)benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 4-(azepan-1-ium-1-yl)-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 4-(azepan-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:

C1CCC[NH+](CC1)C2=NC=NC3=C2OC4=CC=CC=C43.[Cl-]

Isomeric SMILES

C1CCC[NH+](CC1)C2=NC=NC3=C2OC4=CC=CC=C43.[Cl-]

InChI

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