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

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2R)-2-(1-methyl-2-pyrrolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCCC3C4=CC=CN4C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCC[C@@H]3C4=CC=CN4C)OCO2

InChI

InChI=1S/C20H23N3O4/c1-13(24)14-9-18-19(27-12-26-18)10-15(14)21-20(25)11-23-8-4-6-17(23)16-5-3-7-22(16)2/h3,5,7,9-10,17H,4,6,8,11-12H2,1-2H3,(H,21,25)/p+1/t17-/m1/s1