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

Systemtic Name: [2-butyl-6-[[4-(2-methoxy-2-oxidanylidene-1-phenyl-ethoxy)phenyl]methyl]benzimidazol-1-yl]-methyl-pentyl-(phenylsulfonyl)azanium Openeye Name: benzenesulfonyl-[2-butyl-6-[[4-(2-methoxy-2-oxo-1-phenyl-ethoxy)phenyl]methyl]benzimidazol-1-yl]-methyl-pentyl-ammonium CAS Name: benzenesulfonyl-[2-butyl-6-[[4-(2-methoxy-2-oxo-1-phenylethoxy)phenyl]methyl]-1-benzimidazolyl]-methyl-pentylammonium IUPAC Name: benzenesulfonyl-[2-butyl-6-[[4-(2-methoxy-2-oxo-1-phenylethoxy)phenyl]methyl]benzimidazol-1-yl]-methyl-pentylazanium Traditional Name: amyl-besyl-[2-butyl-6-[4-(2-keto-2-methoxy-1-phenyl-ethoxy)benzyl]benzimidazol-1-yl]-methyl-ammonium Formula: C39H46N3O5S+ MolecularWeight: 668.86464

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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)OC)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)OC)N=C1CCCC)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C39H46N3O5S/c1-5-7-15-27-42(3,48(44,45)34-18-13-10-14-19-34)41-36-29-31(23-26-35(36)40-37(41)20-8-6-2)28-30-21-24-33(25-22-30)47-38(39(43)46-4)32-16-11-9-12-17-32/h9-14,16-19,21-26,29,38H,5-8,15,20,27-28H2,1-4H3/q+1