4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-N-phenyl-benzamide

Systemtic Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-N-phenyl-benzamide Openeye Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-N-phenyl-benzamide CAS Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-N-phenylbenzamide IUPAC Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-N-phenylbenzamide Traditional Name: 4-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-N-phenyl-benzamide Formula: C26H29N2O3+ MolecularWeight: 417.52006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H28N2O3/c1-30-22-14-15-25(31-2)23(17-22)24-9-6-16-28(24)18-19-10-12-20(13-11-19)26(29)27-21-7-4-3-5-8-21/h3-5,7-8,10-15,17,24H,6,9,16,18H2,1-2H3,(H,27,29)/p+1/t24-/m1/s1