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

Systemtic Name: 3-[4-[[3,4-bis(fluoranyl)phenyl]methyl]piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-[(3,4-difluorophenyl)methyl]piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-[(3,4-difluorophenyl)methyl]-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-[(3,4-difluorophenyl)methyl]piperazin-4-ium-1-yl]aniline Traditional Name: [3-[4-(3,4-difluorobenzyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C17H20F2N3+ MolecularWeight: 304.357606

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C=C2)F)F)C3=CC(=CC=C3)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C=C2)F)F)C3=CC(=CC=C3)N

InChI

InChI=1S/C17H19F2N3/c18-16-5-4-13(10-17(16)19)12-21-6-8-22(9-7-21)15-3-1-2-14(20)11-15/h1-5,10-11H,6-9,12,20H2/p+1