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

Systemtic Name: 5-bromanyl-N-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-5-bromo-furan-2-carboxamide CAS Name: 5-bromo-N-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-furancarboxamide IUPAC Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]-5-bromofuran-2-carboxamide Traditional Name: N-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]-5-bromo-2-furamide Formula: C24H25BrN3O3+ MolecularWeight: 483.3776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrN3O3/c25-21-12-11-20(31-21)24(30)26-17-22(29)27-13-15-28(16-14-27)23(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,23H,13-17H2,(H,26,30)/p+1