2-(4-methoxyphenyl)-3-(2-methylpropyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-(4-methoxyphenyl)-3-(2-methylpropyl)-1H-benzimidazol-3-ium Openeye Name: 3-isobutyl-2-(4-methoxyphenyl)-1H-benzimidazol-3-ium CAS Name: 2-(4-methoxyphenyl)-3-(2-methylpropyl)-1H-benzimidazol-3-ium IUPAC Name: 2-(4-methoxyphenyl)-3-(2-methylpropyl)-1H-benzimidazol-3-ium Traditional Name: 3-isobutyl-2-(4-methoxyphenyl)-1H-benzimidazol-3-ium Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O/c1-13(2)12-20-17-7-5-4-6-16(17)19-18(20)14-8-10-15(21-3)11-9-14/h4-11,13H,12H2,1-3H3/p+1