ethyl 3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzofuran-2-carboxylate CAS Name: 3-[[(2S)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]coumarilic acid ethyl ester Formula: C24H28NO5+ MolecularWeight: 410.48282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+]3CCCC3C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO5/c1-4-29-24(26)23-19(17-8-5-6-10-22(17)30-23)15-25-13-7-9-20(25)18-14-16(27-2)11-12-21(18)28-3/h5-6,8,10-12,14,20H,4,7,9,13,15H2,1-3H3/p+1/t20-/m0/s1