1-cyclohexyl-3-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonyl-urea

Systemtic Name: 1-cyclohexyl-3-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonyl-urea Openeye Name: 1-cyclohexyl-3-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonyl-urea CAS Name: 1-cyclohexyl-3-[2-[4-[[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]methyl]phenyl]phenyl]sulfonylurea IUPAC Name: 1-cyclohexyl-3-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonylurea Traditional Name: 1-cyclohexyl-3-[2-[4-[[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]methyl]phenyl]phenyl]sulfonyl-urea Formula: C39H43N6O3S+ MolecularWeight: 675.86212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)NC5CCCCC5)C6=NC7=CC=CC=C7N6C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)NC5CCCCC5)C6=NC7=CC=CC=C7N6C

InChI

InChI=1S/C39H42N6O3S/c1-4-13-36-42-37-31(38-41-32-18-9-10-19-33(32)44(38)2)17-12-20-34(37)45(36,3)26-27-22-24-28(25-23-27)30-16-8-11-21-35(30)49(47,48)43-39(46)40-29-14-6-5-7-15-29/h8-12,16-25,29H,4-7,13-15,26H2,1-3H3,(H-,40,43,46)/p+1