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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[(3,4-difluorophenyl)methyl]-4-methyl-piperazin-4-ium CAS Name: 1-[(3,4-difluorophenyl)methyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[(3,4-difluorophenyl)methyl]-4-methylpiperazin-4-ium Traditional Name: 1-(3,4-difluorobenzyl)-4-methyl-piperazin-4-ium Formula: C12H17F2N2+ MolecularWeight: 227.273586

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)F)F

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C12H16F2N2/c1-15-4-6-16(7-5-15)9-10-2-3-11(13)12(14)8-10/h2-3,8H,4-7,9H2,1H3/p+1