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

Systemtic Name: N-(butylcarbamoyl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[(2S)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O4/c1-2-3-8-20-19(24)21-18(23)13-22-9-4-5-15(22)14-6-7-16-17(12-14)26-11-10-25-16/h6-7,12,15H,2-5,8-11,13H2,1H3,(H2,20,21,23,24)/p+1/t15-/m0/s1