2-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-1-piperazin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(2-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-ium-1-yl]methyl]-1H-benzimidazole Formula: C25H27N6+ MolecularWeight: 411.52208

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C1)N=C(N=C2N3CC[NH+](CC3)CC4=NC5=CC=CC=C5N4)C6=CC=CC=C6

InChI

InChI=1S/C25H26N6/c1-2-7-18(8-3-1)24-28-20-12-6-9-19(20)25(29-24)31-15-13-30(14-16-31)17-23-26-21-10-4-5-11-22(21)27-23/h1-5,7-8,10-11H,6,9,12-17H2,(H,26,27)/p+1