2-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(2-bromophenyl)methyl]-1-piperazin-4-iumyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-[(2-bromophenyl)methyl]piperazin-4-ium-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(2-bromobenzyl)piperazin-4-ium-1-yl]-6-fluoro-benzonitrile Formula: C18H18BrFN3+ MolecularWeight: 375.258023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Br)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Br)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C18H17BrFN3/c19-16-5-2-1-4-14(16)13-22-8-10-23(11-9-22)18-7-3-6-17(20)15(18)12-21/h1-7H,8-11,13H2/p+1