1-[2-butyl-1-[[4-(5-chloranyl-2-cyano-phenyl)phenyl]methyl]benzimidazol-1-ium-1-yl]-3-cyclohexyl-urea

Systemtic Name: 1-[2-butyl-1-[[4-(5-chloranyl-2-cyano-phenyl)phenyl]methyl]benzimidazol-1-ium-1-yl]-3-cyclohexyl-urea Openeye Name: 1-[2-butyl-1-[[4-(5-chloro-2-cyano-phenyl)phenyl]methyl]benzimidazol-1-ium-1-yl]-3-cyclohexyl-urea CAS Name: 1-[2-butyl-1-[[4-(5-chloro-2-cyanophenyl)phenyl]methyl]-1-benzimidazol-1-iumyl]-3-cyclohexylurea IUPAC Name: 1-[2-butyl-1-[[4-(5-chloro-2-cyanophenyl)phenyl]methyl]benzimidazol-1-ium-1-yl]-3-cyclohexylurea Traditional Name: 1-[2-butyl-1-[4-(5-chloro-2-cyano-phenyl)benzyl]benzimidazol-1-ium-1-yl]-3-cyclohexyl-urea Formula: C32H35ClN5O+ MolecularWeight: 541.1062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=C(C=CC(=C4)Cl)C#N)NC(=O)NC5CCCCC5

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=C(C=CC(=C4)Cl)C#N)NC(=O)NC5CCCCC5

InChI

InChI=1S/C32H34ClN5O/c1-2-3-13-31-36-29-11-7-8-12-30(29)38(31,37-32(39)35-27-9-5-4-6-10-27)22-23-14-16-24(17-15-23)28-20-26(33)19-18-25(28)21-34/h7-8,11-12,14-20,27H,2-6,9-10,13,22H2,1H3,(H-,35,37,39)/p+1