methyl 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C22H27N2O5+ MolecularWeight: 399.46018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H26N2O5/c1-27-17-10-11-20(28-2)18(13-17)19-5-4-12-24(19)14-21(25)23-16-8-6-15(7-9-16)22(26)29-3/h6-11,13,19H,4-5,12,14H2,1-3H3,(H,23,25)/p+1/t19-/m1/s1