2-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C17H23BrN3O3+ MolecularWeight: 397.28682

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H22BrN3O3/c18-14-8-16-15(23-11-24-16)7-12(14)9-20-3-5-21(6-4-20)10-17(22)19-13-1-2-13/h7-8,13H,1-6,9-11H2,(H,19,22)/p+1