1-[(4-bromanylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-[(4-bromanylthiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-[(4-bromo-2-thienyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[(4-bromo-2-thiophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(4-bromothiophen-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-[(4-bromo-2-thienyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C16H17BrF3N2S+ MolecularWeight: 406.28379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CS2)Br)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CS2)Br)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H16BrF3N2S/c17-13-9-15(23-11-13)10-21-4-6-22(7-5-21)14-3-1-2-12(8-14)16(18,19)20/h1-3,8-9,11H,4-7,10H2/p+1