1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(3-bromo-4-fluoro-phenyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(3-bromo-4-fluorophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-(3-bromo-4-fluoro-benzyl)-4-(o-tolyl)piperazin-1-ium Formula: C18H21BrFN2+ MolecularWeight: 364.275143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)F)Br

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C18H20BrFN2/c1-14-4-2-3-5-18(14)22-10-8-21(9-11-22)13-15-6-7-17(20)16(19)12-15/h2-7,12H,8-11,13H2,1H3/p+1