N-[[(2S)-5-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[(2S)-5-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[[(2S)-5-(5-methyl-2-pyridyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[[(2S)-5-(5-methyl-2-pyridinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[[(2S)-5-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[[(2S)-5-(5-methyl-2-pyridyl)coumaran-2-yl]methyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C2=CC3=C(C=C2)OC(C3)CNC(=O)C[NH+]4CCCC4

Isomeric SMILES

CC1=CN=C(C=C1)C2=CC3=C(C=C2)O[C@@H](C3)CNC(=O)C[NH+]4CCCC4

InChI

InChI=1S/C21H25N3O2/c1-15-4-6-19(22-12-15)16-5-7-20-17(10-16)11-18(26-20)13-23-21(25)14-24-8-2-3-9-24/h4-7,10,12,18H,2-3,8-9,11,13-14H2,1H3,(H,23,25)/p+1/t18-/m0/s1