5-bromanyl-N-[2-oxidanylidene-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-oxidanylidene-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-oxo-2-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]ethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]-2-furamide Formula: C20H25BrN3O3+ MolecularWeight: 435.3348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H24BrN3O3/c21-18-9-8-17(27-18)20(26)23-13-19(25)22-12-15-4-6-16(7-5-15)14-24-10-2-1-3-11-24/h4-9H,1-3,10-14H2,(H,22,25)(H,23,26)/p+1