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

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

Isomeric SMILES

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

InChI

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