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

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)N)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)N)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C15H20N2O3/c16-15(18)10-17-6-1-3-12(17)11-4-5-13-14(9-11)20-8-2-7-19-13/h4-5,9,12H,1-3,6-8,10H2,(H2,16,18)/p+1/t12-/m1/s1