methyl 4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoate Openeye Name: methyl 4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[(2S)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]benzoic acid methyl ester Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@@H]2CCC[NH+]2CC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C21H25NO4/c1-24-17-10-11-18(20(13-17)25-2)19-5-4-12-22(19)14-15-6-8-16(9-7-15)21(23)26-3/h6-11,13,19H,4-5,12,14H2,1-3H3/p+1/t19-/m0/s1