N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[(2R)-7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[[(2R)-7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[[(2R)-7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[[(2R)-7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C20H24ClN4O2+ MolecularWeight: 387.88316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)C4=CN=CN=C4)Cl

InChI

InChI=1S/C20H23ClN4O2/c21-18-8-14(16-9-22-13-23-10-16)6-15-7-17(27-20(15)18)11-24-19(26)12-25-4-2-1-3-5-25/h6,8-10,13,17H,1-5,7,11-12H2,(H,24,26)/p+1/t17-/m1/s1