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

Systemtic Name: N-(tert-butylcarbamoyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-19(2,3)21-18(24)20-17(23)12-22-8-4-5-14(22)13-6-7-15-16(11-13)26-10-9-25-15/h6-7,11,14H,4-5,8-10,12H2,1-3H3,(H2,20,21,23,24)/p+1/t14-/m1/s1