1,1-dimethyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonyl-urea

Systemtic Name: 1,1-dimethyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonyl-urea Openeye Name: 1,1-dimethyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonyl-urea CAS Name: 1,1-dimethyl-3-[2-methyl-3-[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]-6-phenylphenyl]sulfonylurea IUPAC Name: 1,1-dimethyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]-6-phenylphenyl]sulfonylurea Traditional Name: 1,1-dimethyl-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonyl-urea Formula: C35H37N6O3S+ MolecularWeight: 621.77168

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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)N(C)C)C)C5=NC6=CC=CC=C6N5C

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)N(C)C)C)C5=NC6=CC=CC=C6N5C

InChI

InChI=1S/C35H36N6O3S/c1-7-14-31-37-32-26(34-36-27-18-11-12-19-28(27)40(34)5)17-13-20-30(32)41(31,6)29-22-21-25(24-15-9-8-10-16-24)33(23(29)2)45(43,44)38-35(42)39(3)4/h8-13,15-22H,7,14H2,1-6H3/p+1