2-(3,4-dimethoxyphenyl)-3-(2-methylbutyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-(2-methylbutyl)-1H-benzimidazol-3-ium Openeye Name: 2-(3,4-dimethoxyphenyl)-3-(2-methylbutyl)-1H-benzimidazol-3-ium CAS Name: 2-(3,4-dimethoxyphenyl)-3-(2-methylbutyl)-1H-benzimidazol-3-ium IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-(2-methylbutyl)-1H-benzimidazol-3-ium Traditional Name: 2-(3,4-dimethoxyphenyl)-3-(2-methylbutyl)-1H-benzimidazol-3-ium Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C[N+]1=C(NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C)C[N+]1=C(NC2=CC=CC=C21)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H24N2O2/c1-5-14(2)13-22-17-9-7-6-8-16(17)21-20(22)15-10-11-18(23-3)19(12-15)24-4/h6-12,14H,5,13H2,1-4H3/p+1