3-(2-methylpropyl)-2-(phenoxymethyl)-1H-benzimidazol-3-ium

Systemtic Name: 3-(2-methylpropyl)-2-(phenoxymethyl)-1H-benzimidazol-3-ium Openeye Name: 3-isobutyl-2-(phenoxymethyl)-1H-benzimidazol-3-ium CAS Name: 3-(2-methylpropyl)-2-(phenoxymethyl)-1H-benzimidazol-3-ium IUPAC Name: 3-(2-methylpropyl)-2-(phenoxymethyl)-1H-benzimidazol-3-ium Traditional Name: 3-isobutyl-2-(phenoxymethyl)-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)COC3=CC=CC=C3

Isomeric SMILES

CC(C)C[N+]1=C(NC2=CC=CC=C21)COC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O/c1-14(2)12-20-17-11-7-6-10-16(17)19-18(20)13-21-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3/p+1