2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(methylcarbamoyl)ethanamide Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide CAS Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-(methylcarbamoyl)acetamide IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-(methylcarbamoyl)acetamide Formula: C17H24N3O4+ MolecularWeight: 334.39016

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C[NH+]1CCCC1C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CNC(=O)NC(=O)C[NH+]1CCC[C@@H]1C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H23N3O4/c1-18-17(22)19-16(21)11-20-7-2-4-13(20)12-5-6-14-15(10-12)24-9-3-8-23-14/h5-6,10,13H,2-4,7-9,11H2,1H3,(H2,18,19,21,22)/p+1/t13-/m1/s1