2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide

Systemtic Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide CAS Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide Traditional Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(propylcarbamoyl)acetamide Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)C[NH+]1CCCC1C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H25N3O4/c1-2-7-19-18(23)20-17(22)12-21-8-3-4-14(21)13-5-6-15-16(11-13)25-10-9-24-15/h5-6,11,14H,2-4,7-10,12H2,1H3,(H2,19,20,22,23)/p+1/t14-/m1/s1