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

Systemtic Name: 1-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-phenyl-urea Openeye Name: 1-[1-methyl-2-[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]-3-phenyl-urea CAS Name: 1-[1-methyl-2-[2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]ethyl]-5-benzimidazolyl]-3-phenylurea IUPAC Name: 1-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea Traditional Name: 1-[1-methyl-2-[2-[4-(2-pyridyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]-3-phenyl-urea Formula: C26H30N7O+ MolecularWeight: 456.5627

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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=CC=N5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3)N=C1CC[NH+]4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H29N7O/c1-31-23-11-10-21(29-26(34)28-20-7-3-2-4-8-20)19-22(23)30-25(31)12-14-32-15-17-33(18-16-32)24-9-5-6-13-27-24/h2-11,13,19H,12,14-18H2,1H3,(H2,28,29,34)/p+1