5-bromanyl-N-[2-oxidanylidene-2-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methylamino]ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-oxidanylidene-2-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methylamino]ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-oxo-2-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methylamino]ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-oxo-2-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methylamino]ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-oxo-2-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methylamino]ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-[(6-pyrrolidinopyridin-1-ium-3-yl)methylamino]ethyl]-2-furamide Formula: C17H20BrN4O3+ MolecularWeight: 408.2697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)CNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)CNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H19BrN4O3/c18-14-5-4-13(25-14)17(24)21-11-16(23)20-10-12-3-6-15(19-9-12)22-7-1-2-8-22/h3-6,9H,1-2,7-8,10-11H2,(H,20,23)(H,21,24)/p+1