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

Systemtic Name: 2-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-methyl-ethanamide Openeye Name: 2-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-acetamide CAS Name: 2-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-methylacetamide IUPAC Name: 2-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methylacetamide Traditional Name: 2-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-methyl-acetamide Formula: C18H26N3O4+ MolecularWeight: 348.41674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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