2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C23H27N2O6+ MolecularWeight: 427.47028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCCC3C4=C(C=CC(=C4)OC)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC[C@@H]3C4=C(C=CC(=C4)OC)OC)OCO2

InChI

InChI=1S/C23H26N2O6/c1-14(26)16-10-21-22(31-13-30-21)11-18(16)24-23(27)12-25-8-4-5-19(25)17-9-15(28-2)6-7-20(17)29-3/h6-7,9-11,19H,4-5,8,12-13H2,1-3H3,(H,24,27)/p+1/t19-/m1/s1