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

Systemtic Name: ethyl 4-[2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H29N2O5+ MolecularWeight: 413.48676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-4-30-23(27)16-7-9-17(10-8-16)24-22(26)15-25-13-5-6-20(25)19-14-18(28-2)11-12-21(19)29-3/h7-12,14,20H,4-6,13,15H2,1-3H3,(H,24,26)/p+1/t20-/m1/s1