2-[(4-tert-butylphenoxy)methyl]-3-(2-methylprop-2-enyl)-1H-benzimidazol-3-ium

Systemtic Name: 2-[(4-tert-butylphenoxy)methyl]-3-(2-methylprop-2-enyl)-1H-benzimidazol-3-ium Openeye Name: 2-[(4-tert-butylphenoxy)methyl]-3-(2-methylallyl)-1H-benzimidazol-3-ium CAS Name: 2-[(4-tert-butylphenoxy)methyl]-3-(2-methylprop-2-enyl)-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-tert-butylphenoxy)methyl]-3-(2-methylprop-2-enyl)-1H-benzimidazol-3-ium Traditional Name: 2-[(4-tert-butylphenoxy)methyl]-3-(2-methylallyl)-1H-benzimidazol-3-ium Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O/c1-16(2)14-24-20-9-7-6-8-19(20)23-21(24)15-25-18-12-10-17(11-13-18)22(3,4)5/h6-13H,1,14-15H2,2-5H3/p+1