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

Systemtic Name: 2-(4-methoxyphenyl)-3-(3-methylbutyl)-1H-benzimidazol-3-ium Openeye Name: 3-isopentyl-2-(4-methoxyphenyl)-1H-benzimidazol-3-ium CAS Name: 2-(4-methoxyphenyl)-3-(3-methylbutyl)-1H-benzimidazol-3-ium IUPAC Name: 2-(4-methoxyphenyl)-3-(3-methylbutyl)-1H-benzimidazol-3-ium Traditional Name: 3-isoamyl-2-(4-methoxyphenyl)-1H-benzimidazol-3-ium Formula: C19H23N2O+ MolecularWeight: 295.39872

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O/c1-14(2)12-13-21-18-7-5-4-6-17(18)20-19(21)15-8-10-16(22-3)11-9-15/h4-11,14H,12-13H2,1-3H3/p+1