N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H27N3O4/c1-19(2,3)20-17(23)13-21-6-8-22(9-7-21)18(24)14-4-5-15-16(12-14)26-11-10-25-15/h4-5,12H,6-11,13H2,1-3H3,(H,20,23)/p+1