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

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4)C

InChI

InChI=1S/C20H23BrN2O2/c1-14-4-3-5-18(15(14)2)23-8-6-22(7-9-23)12-16-10-19-20(11-17(16)21)25-13-24-19/h3-5,10-11H,6-9,12-13H2,1-2H3/p+1