N-[[(2R)-5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-4-carboxamide

Systemtic Name: N-[[(2R)-5-chloranyl-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-4-carboxamide Openeye Name: N-[[(2R)-5-chloro-7-(4-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-piperidin-1-ium-4-carboxamide CAS Name: N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydrobenzofuran-2-yl]methyl]-1-methyl-4-piperidin-1-iumcarboxamide IUPAC Name: N-[[(2R)-5-chloro-7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-methylpiperidin-1-ium-4-carboxamide Traditional Name: N-[[(2R)-5-chloro-7-(4-pyridyl)coumaran-2-yl]methyl]-1-methyl-piperidin-1-ium-4-carboxamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)Cl)C4=CC=NC=C4

InChI

InChI=1S/C21H24ClN3O2/c1-25-8-4-15(5-9-25)21(26)24-13-18-11-16-10-17(22)12-19(20(16)27-18)14-2-6-23-7-3-14/h2-3,6-7,10,12,15,18H,4-5,8-9,11,13H2,1H3,(H,24,26)/p+1/t18-/m1/s1