(4-bromanyl-2-fluoranyl-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-bromo-2-fluoro-phenyl)-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-bromo-2-fluorophenyl)-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-bromo-2-fluorophenyl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-bromo-2-fluoro-phenyl)-[4-(2-thenyl)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=CS2)C(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

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

InChI

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