1-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-3-[2-methyl-3-[1-methyl-4-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazol-1-iumyl]-6-phenylphenyl]sulfonylurea IUPAC Name: 1-[(4-methoxyphenyl)methyl]-3-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-ium-1-yl]-6-phenylphenyl]sulfonylurea Traditional Name: 1-[2-methyl-3-[1-methyl-4-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-ium-1-yl]-6-phenyl-phenyl]sulfonyl-3-p-anisyl-urea Formula: C41H41N6O4S+ MolecularWeight: 713.86704

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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)NCC5=CC=C(C=C5)OC)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)NCC5=CC=C(C=C5)OC)C)C6=NC7=CC=CC=C7N6C

InChI

InChI=1S/C41H40N6O4S/c1-6-13-37-44-38-32(40-43-33-17-10-11-18-34(33)46(40)3)16-12-19-36(38)47(37,4)35-25-24-31(29-14-8-7-9-15-29)39(27(35)2)52(49,50)45-41(48)42-26-28-20-22-30(51-5)23-21-28/h7-12,14-25H,6,13,26H2,1-5H3,(H-,42,45,48)/p+1