2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-prop-2-ynyl-acetamide CAS Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazin-1-iumyl]-N-prop-2-ynylacetamide IUPAC Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-prop-2-ynylacetamide Traditional Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazin-1-ium-1-yl]-N-propargyl-acetamide Formula: C18H22N3O4+ MolecularWeight: 344.38498

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C#CCNC(=O)C[NH+]1CCN(CC1)C(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H21N3O4/c1-2-7-19-17(22)12-20-8-10-21(11-9-20)18(23)16-13-24-14-5-3-4-6-15(14)25-16/h1,3-6,16H,7-13H2,(H,19,22)/p+1/t16-/m1/s1