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

Systemtic Name: 2-[(4-tert-butylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium Openeye Name: 2-[(4-tert-butylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium CAS Name: 2-[(4-tert-butylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-tert-butylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium Traditional Name: 2-[(4-tert-butylphenoxy)methyl]-3-propyl-1H-benzimidazol-3-ium Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-5-14-23-19-9-7-6-8-18(19)22-20(23)15-24-17-12-10-16(11-13-17)21(2,3)4/h6-13H,5,14-15H2,1-4H3/p+1