N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonylbenzamide

Systemtic Name: N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonylbenzamide Openeye Name: N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonylbenzamide CAS Name: N-[2-methyl-3-[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]-6-phenylphenyl]sulfonylbenzamide IUPAC Name: N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]-6-phenylphenyl]sulfonylbenzamide Traditional Name: N-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonylbenzamide Formula: C39H36N5O3S+ MolecularWeight: 654.79984

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)NC(=O)C5=CC=CC=C5)C)C6=NC7=CC=CC=C7N6C

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)C3=C(C(=C(C=C3)C4=CC=CC=C4)S(=O)(=O)NC(=O)C5=CC=CC=C5)C)C6=NC7=CC=CC=C7N6C

InChI

InChI=1S/C39H35N5O3S/c1-5-15-35-41-36-30(38-40-31-21-12-13-22-32(31)43(38)3)20-14-23-34(36)44(35,4)33-25-24-29(27-16-8-6-9-17-27)37(26(33)2)48(46,47)42-39(45)28-18-10-7-11-19-28/h6-14,16-25H,5,15H2,1-4H3/p+1