N-(4-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(4-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-26-17-9-10-18(20(12-17)27-2)19-4-3-11-24(19)14-21(25)23-16-7-5-15(13-22)6-8-16/h5-10,12,19H,3-4,11,14H2,1-2H3,(H,23,25)/p+1/t19-/m1/s1