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

Systemtic Name: 1-cyclohexyl-3-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]urea Openeye Name: 1-cyclohexyl-3-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]urea CAS Name: 1-cyclohexyl-3-[1-methyl-2-[2-[4-(4-methylphenyl)-1-piperazin-1-iumyl]ethyl]-5-benzimidazolyl]urea IUPAC Name: 1-cyclohexyl-3-[1-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]urea Traditional Name: 1-cyclohexyl-3-[1-methyl-2-[2-[4-(p-tolyl)piperazin-1-ium-1-yl]ethyl]benzimidazol-5-yl]urea Formula: C28H39N6O+ MolecularWeight: 475.64886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCC3=NC4=C(N3C)C=CC(=C4)NC(=O)NC5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2CC[NH+](CC2)CCC3=NC4=C(N3C)C=CC(=C4)NC(=O)NC5CCCCC5

InChI

InChI=1S/C28H38N6O/c1-21-8-11-24(12-9-21)34-18-16-33(17-19-34)15-14-27-31-25-20-23(10-13-26(25)32(27)2)30-28(35)29-22-6-4-3-5-7-22/h8-13,20,22H,3-7,14-19H2,1-2H3,(H2,29,30,35)/p+1