5-(4-bromophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide

Systemtic Name: 5-(4-bromophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide Openeye Name: 5-(4-bromophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide CAS Name: 5-(4-bromophenyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-furancarboxamide IUPAC Name: 5-(4-bromophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]furan-2-carboxamide Traditional Name: 5-(4-bromophenyl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-furamide Formula: C22H23BrN3O2+ MolecularWeight: 441.34092

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H22BrN3O2/c1-25-12-14-26(15-13-25)19-8-6-18(7-9-19)24-22(27)21-11-10-20(28-21)16-2-4-17(23)5-3-16/h2-11H,12-15H2,1H3,(H,24,27)/p+1