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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O2/c1-14(2)11-12-22-17-8-6-5-7-16(17)21-20(22)15-9-10-18(23-3)19(13-15)24-4/h5-10,13-14H,11-12H2,1-4H3/p+1