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

Systemtic Name: 1-cyclohexyl-3-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]urea Openeye Name: 1-cyclohexyl-3-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]urea CAS Name: 1-cyclohexyl-3-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]urea IUPAC Name: 1-cyclohexyl-3-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]urea Traditional Name: 1-cyclohexyl-3-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]urea Formula: C26H36N7O+ MolecularWeight: 462.61034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)NC3CCCCC3)N=C1CCN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)NC3CCCCC3)N=C1CCN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H35N7O/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/h5-6,9-11,13,19-20H,2-4,7-8,12,14-18H2,1H3,(H2,28,29,34)/p+1