N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C22H27N3O3/c1-3-27-19-12-16-11-15(2)28-20(16)13-17(19)14-24-22(26)18-7-6-8-23-21(18)25-9-4-5-10-25/h6-8,12-13,15H,3-5,9-11,14H2,1-2H3,(H,24,26)/p+1/t15-/m0/s1