ethyl 3-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCCC3C4=CC=CN4C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCC[C@@H]3C4=CC=CN4C

InChI

InChI=1S/C21H24N2O3/c1-3-25-21(24)20-16(15-8-4-5-11-19(15)26-20)14-23-13-7-10-18(23)17-9-6-12-22(17)2/h4-6,8-9,11-12,18H,3,7,10,13-14H2,1-2H3/p+1/t18-/m1/s1