1-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea

Systemtic Name: 1-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea Openeye Name: 1-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea CAS Name: 1-[2-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]ethyl]-1-methyl-5-benzimidazolyl]-3-phenylurea IUPAC Name: 1-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methylbenzimidazol-5-yl]-3-phenylurea Traditional Name: 1-[2-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethyl]-1-methyl-benzimidazol-5-yl]-3-phenyl-urea Formula: C27H30FN6O+ MolecularWeight: 473.565103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)N=C1CC[NH+]4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)N=C1CC[NH+]4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H29FN6O/c1-32-25-12-9-22(30-27(35)29-21-5-3-2-4-6-21)19-24(25)31-26(32)13-14-33-15-17-34(18-16-33)23-10-7-20(28)8-11-23/h2-12,19H,13-18H2,1H3,(H2,29,30,35)/p+1