[2-butyl-6-[[4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)phenyl]methyl]benzimidazol-1-yl]-methyl-pentyl-(phenylsulfonyl)azanium

Systemtic Name: [2-butyl-6-[[4-(2-oxidanyl-2-oxidanylidene-1-phenyl-ethoxy)phenyl]methyl]benzimidazol-1-yl]-methyl-pentyl-(phenylsulfonyl)azanium Openeye Name: benzenesulfonyl-[2-butyl-6-[[4-(2-hydroxy-2-oxo-1-phenyl-ethoxy)phenyl]methyl]benzimidazol-1-yl]-methyl-pentyl-ammonium CAS Name: benzenesulfonyl-[2-butyl-6-[[4-(2-hydroxy-2-oxo-1-phenylethoxy)phenyl]methyl]-1-benzimidazolyl]-methyl-pentylammonium IUPAC Name: benzenesulfonyl-[2-butyl-6-[[4-(2-hydroxy-2-oxo-1-phenylethoxy)phenyl]methyl]benzimidazol-1-yl]-methyl-pentylazanium Traditional Name: amyl-besyl-[2-butyl-6-[4-(2-hydroxy-2-keto-1-phenyl-ethoxy)benzyl]benzimidazol-1-yl]-methyl-ammonium Formula: C38H44N3O5S+ MolecularWeight: 654.83806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](C)(N1C2=C(C=CC(=C2)CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)N=C1CCCC)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCC[N+](C)(N1C2=C(C=CC(=C2)CC3=CC=C(C=C3)OC(C4=CC=CC=C4)C(=O)O)N=C1CCCC)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C38H43N3O5S/c1-4-6-14-26-41(3,47(44,45)33-17-12-9-13-18-33)40-35-28-30(22-25-34(35)39-36(40)19-7-5-2)27-29-20-23-32(24-21-29)46-37(38(42)43)31-15-10-8-11-16-31/h8-13,15-18,20-25,28,37H,4-7,14,19,26-27H2,1-3H3/p+1