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

Systemtic Name: methyl 2-[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC(=O)NC3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CC(=O)NC3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C22H26N2O5/c1-27-15-10-11-17(20(13-15)28-2)19-9-6-12-24(19)14-21(25)23-18-8-5-4-7-16(18)22(26)29-3/h4-5,7-8,10-11,13,19H,6,9,12,14H2,1-3H3,(H,23,25)/p+1/t19-/m1/s1