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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(3,4-difluorophenyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(3,4-difluorophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-(3,4-difluorobenzyl)-4-(o-tolyl)piperazin-1-ium Formula: C18H21F2N2+ MolecularWeight: 303.369546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20F2N2/c1-14-4-2-3-5-18(14)22-10-8-21(9-11-22)13-15-6-7-16(19)17(20)12-15/h2-7,12H,8-11,13H2,1H3/p+1