(4-bromanylthiophen-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanylthiophen-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromo-2-thienyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-bromo-2-thiophenyl)-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromothiophen-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromo-2-thienyl)-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C16H17BrFN2OS+ MolecularWeight: 384.286383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)C3=CC(=CS3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)C3=CC(=CS3)Br

InChI

InChI=1S/C16H16BrFN2OS/c17-13-9-15(22-11-13)16(21)20-6-4-19(5-7-20)10-12-2-1-3-14(18)8-12/h1-3,8-9,11H,4-7,10H2/p+1