1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-(3-methoxyphenyl)piperazin-1-ium

Systemtic Name: 1-[[2,5-bis(fluoranyl)phenyl]methyl]-4-(3-methoxyphenyl)piperazin-1-ium Openeye Name: 1-[(2,5-difluorophenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium CAS Name: 1-[(2,5-difluorophenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium IUPAC Name: 1-[(2,5-difluorophenyl)methyl]-4-(3-methoxyphenyl)piperazin-1-ium Traditional Name: 1-(2,5-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(=C3)F)F

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)F

InChI

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