1-[[2,6-bis(fluoranyl)phenyl]methyl]-4-(3-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[[2,6-bis(fluoranyl)phenyl]methyl]-4-(3-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(2,6-difluorophenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(2,6-difluorophenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(2,6-difluorophenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(2,6-difluorobenzyl)-4-(3-methoxyphenyl)piperazin-1-ium Formula: C18H21F2N2O+ MolecularWeight: 319.368946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=C(C=CC=C3F)F

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=C(C=CC=C3F)F

InChI

InChI=1S/C18H20F2N2O/c1-23-15-5-2-4-14(12-15)22-10-8-21(9-11-22)13-16-17(19)6-3-7-18(16)20/h2-7,12H,8-11,13H2,1H3/p+1