[4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C19H20BrN2O3+ MolecularWeight: 404.2777

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCO3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2Br)OCO3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19BrN2O3/c20-16-11-18-17(24-13-25-18)10-15(16)12-21-6-8-22(9-7-21)19(23)14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13H2/p+1