1-[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl]-3-methyl-benzimidazol-3-ium

Systemtic Name: 1-[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl]-3-methyl-benzimidazol-3-ium Openeye Name: 1-[2-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]ethoxy]ethyl]-3-methyl-benzimidazol-3-ium CAS Name: 1-[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl]-3-methylbenzimidazol-3-ium IUPAC Name: 1-[2-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]ethoxy]ethyl]-3-methylbenzimidazol-3-ium Traditional Name: 1-[2-[2-(2,4-ditert-amylphenoxy)ethoxy]ethyl]-3-methyl-benzimidazol-3-ium Formula: C28H41N2O2+ MolecularWeight: 437.63734

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCOCCN2C=[N+](C3=CC=CC=C32)C)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCOCCN2C=[N+](C3=CC=CC=C32)C)C(C)(C)CC

InChI

InChI=1S/C28H41N2O2/c1-8-27(3,4)22-14-15-26(23(20-22)28(5,6)9-2)32-19-18-31-17-16-30-21-29(7)24-12-10-11-13-25(24)30/h10-15,20-21H,8-9,16-19H2,1-7H3/q+1