5-bromanyl-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-2-furamide Formula: C17H20BrN4O3+ MolecularWeight: 408.2697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H19BrN4O3/c18-15-2-1-14(25-15)17(24)20-11-16(23)22-9-7-21(8-10-22)12-13-3-5-19-6-4-13/h1-6H,7-12H2,(H,20,24)/p+1