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

Systemtic Name: 2-[4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H25ClN3O3+ MolecularWeight: 366.8624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C18H24ClN3O3/c19-15-9-13(10-16-18(15)25-8-7-24-16)11-21-3-5-22(6-4-21)12-17(23)20-14-1-2-14/h9-10,14H,1-8,11-12H2,(H,20,23)/p+1