2-[4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H23ClN3O4+ MolecularWeight: 380.84592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C18H22ClN3O4/c19-14-9-12(10-15-17(14)26-8-7-25-15)18(24)22-5-3-21(4-6-22)11-16(23)20-13-1-2-13/h9-10,13H,1-8,11H2,(H,20,23)/p+1