2-methoxy-4-[[2-(3-methoxy-4-oxidanyl-phenyl)-3H-benzimidazol-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-4-[[2-(3-methoxy-4-oxidanyl-phenyl)-3H-benzimidazol-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[2-(4-hydroxy-3-methoxy-phenyl)-3H-benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 4-[[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-1-ium-1-yl]methyl]-2-methoxyphenol IUPAC Name: 4-[[2-(4-hydroxy-3-methoxyphenyl)-3H-benzimidazol-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 4-[[2-(4-hydroxy-3-methoxy-phenyl)-3H-benzimidazol-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C22H21N2O4+ MolecularWeight: 377.41314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[N+]2=C(NC3=CC=CC=C32)C4=CC(=C(C=C4)O)OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[N+]2=C(NC3=CC=CC=C32)C4=CC(=C(C=C4)O)OC)O

InChI

InChI=1S/C22H20N2O4/c1-27-20-11-14(7-9-18(20)25)13-24-17-6-4-3-5-16(17)23-22(24)15-8-10-19(26)21(12-15)28-2/h3-12H,13H2,1-2H3,(H2,23,25,26)/p+1