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

Systemtic Name: 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-(o-tolyl)piperazin-1-ium Formula: C19H22BrN2O2+ MolecularWeight: 390.29418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C19H21BrN2O2/c1-14-4-2-3-5-17(14)22-8-6-21(7-9-22)12-15-10-18-19(11-16(15)20)24-13-23-18/h2-5,10-11H,6-9,12-13H2,1H3/p+1