ethyl 2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]furan-3-carboxylic acid ethyl ester Formula: C20H26NO5+ MolecularWeight: 360.42414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)C[NH+]2CCCC2C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)C[NH+]2CCC[C@H]2C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C20H25NO5/c1-4-25-20(22)16-9-11-26-19(16)13-21-10-5-6-17(21)15-8-7-14(23-2)12-18(15)24-3/h7-9,11-12,17H,4-6,10,13H2,1-3H3/p+1/t17-/m0/s1