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

Systemtic Name: N-[2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: N-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-furancarboxamide IUPAC Name: N-[2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]furan-2-carboxamide Traditional Name: N-[2-[4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-2-furamide Formula: C16H19BrN3O3S+ MolecularWeight: 413.30936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)CNC(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C16H18BrN3O3S/c17-14-4-3-12(24-14)11-19-5-7-20(8-6-19)15(21)10-18-16(22)13-2-1-9-23-13/h1-4,9H,5-8,10-11H2,(H,18,22)/p+1