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

Systemtic Name: 2-phenyl-4-piperidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride Openeye Name: 2-phenyl-4-piperidin-1-ium-1-yl-benzofuro[3,2-d]pyrimidine chloride CAS Name: 2-phenyl-4-(1-piperidin-1-iumyl)benzofuro[3,2-d]pyrimidine chloride IUPAC Name: 2-phenyl-4-piperidin-1-ium-1-yl-[1]benzofuro[3,2-d]pyrimidine chloride Traditional Name: 2-phenyl-4-piperidin-1-ium-1-yl-benzofuro[3,2-d]pyrimidine chloride Formula: C21H20ClN3O MolecularWeight: 365.856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)C2=NC(=NC3=C2OC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C21H19N3O.ClH/c1-3-9-15(10-4-1)20-22-18-16-11-5-6-12-17(16)25-19(18)21(23-20)24-13-7-2-8-14-24;/h1,3-6,9-12H,2,7-8,13-14H2;1H