5-bromanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]furan-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-5-bromofuran-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-5-bromo-2-furamide Formula: C22H23BrN3O2+ MolecularWeight: 441.34092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC=C(O4)Br

InChI

InChI=1S/C22H22BrN3O2/c23-21-11-10-20(28-21)22(27)24-18-6-8-19(9-7-18)26-14-12-25(13-15-26)16-17-4-2-1-3-5-17/h1-11H,12-16H2,(H,24,27)/p+1