3-[2,6-bis(bromanyl)-1-(2-fluorophenyl)-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-3-(oxidanylidenemethylidene)piperazin-1-ium-1-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[2,6-bis(bromanyl)-1-(2-fluorophenyl)-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-3-(oxidanylidenemethylidene)piperazin-1-ium-1-yl]-1H-benzimidazol-2-one Openeye Name: 3-[2,6-dibromo-1-(2-fluorophenyl)-4-[3-(4-hydroxyphenyl)-2-(1-piperidylamino)propanoyl]-3-(oxomethylene)piperazin-1-ium-1-yl]-1H-benzimidazol-2-one CAS Name: 3-[2,6-dibromo-1-(2-fluorophenyl)-4-[3-(4-hydroxyphenyl)-1-oxo-2-(1-piperidinylamino)propyl]-3-(oxomethylidene)-1-piperazin-1-iumyl]-1H-benzimidazol-2-one IUPAC Name: 3-[2,6-dibromo-1-(2-fluorophenyl)-4-[3-(4-hydroxyphenyl)-2-(piperidin-1-ylamino)propanoyl]-3-(oxomethylidene)piperazin-1-ium-1-yl]-1H-benzimidazol-2-one Traditional Name: 3-[2,6-dibromo-1-(2-fluorophenyl)-4-[3-(4-hydroxyphenyl)-2-(piperidinoamino)propanoyl]-3-(ketomethylene)piperazin-1-ium-1-yl]-1H-benzimidazol-2-one Formula: C32H32Br2FN6O4+ MolecularWeight: 743.440683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)NC(CC2=CC=C(C=C2)O)C(=O)N3CC([N+](C(C3=C=O)Br)(C4=CC=CC=C4F)N5C6=CC=CC=C6NC5=O)Br

Isomeric SMILES

C1CCN(CC1)NC(CC2=CC=C(C=C2)O)C(=O)N3CC([N+](C(C3=C=O)Br)(C4=CC=CC=C4F)N5C6=CC=CC=C6NC5=O)Br

InChI

InChI=1S/C32H31Br2FN6O4/c33-29-19-39(31(44)25(37-38-16-6-1-7-17-38)18-21-12-14-22(43)15-13-21)27(20-42)30(34)41(29,28-11-5-2-8-23(28)35)40-26-10-4-3-9-24(26)36-32(40)45/h2-5,8-15,25,29-30,37H,1,6-7,16-19H2,(H-,36,43,45)/p+1