2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazol-3-ium Openeye Name: 2-[1-(4-isobutylphenyl)ethyl]-1H-benzimidazol-3-ium CAS Name: 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazol-3-ium IUPAC Name: 2-[1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazol-3-ium Traditional Name: 2-[1-(4-isobutylphenyl)ethyl]-1H-benzimidazol-3-ium Formula: C19H23N2+ MolecularWeight: 279.39932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C19H22N2/c1-13(2)12-15-8-10-16(11-9-15)14(3)19-20-17-6-4-5-7-18(17)21-19/h4-11,13-14H,12H2,1-3H3,(H,20,21)/p+1