4-[(5-bromanylthiophen-2-yl)methyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(5-bromanylthiophen-2-yl)methyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(5-bromo-2-thienyl)methyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)methyl]-N-[(2-fluorophenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(5-bromothiophen-2-yl)methyl]-N-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(5-bromo-2-thienyl)methyl]-N-(2-fluorobenzyl)piperazin-4-ium-1-carboxamide Formula: C17H20BrFN3OS+ MolecularWeight: 413.327603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NCC3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C17H19BrFN3OS/c18-16-6-5-14(24-16)12-21-7-9-22(10-8-21)17(23)20-11-13-3-1-2-4-15(13)19/h1-6H,7-12H2,(H,20,23)/p+1