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

Systemtic Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-N-propargyl-acetamide Formula: C18H23N2O3+ MolecularWeight: 315.38682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c1-2-8-19-18(21)13-20-9-3-5-15(20)14-6-7-16-17(12-14)23-11-4-10-22-16/h1,6-7,12,15H,3-5,8-11,13H2,(H,19,21)/p+1/t15-/m1/s1