1-methyl-3-[4-[2-(2-methylbutan-2-yl)-4-pentyl-phenoxy]butyl]benzimidazol-1-ium

Systemtic Name: 1-methyl-3-[4-[2-(2-methylbutan-2-yl)-4-pentyl-phenoxy]butyl]benzimidazol-1-ium Openeye Name: 1-[4-[2-(1,1-dimethylpropyl)-4-pentyl-phenoxy]butyl]-3-methyl-benzimidazol-3-ium CAS Name: 1-methyl-3-[4-[2-(2-methylbutan-2-yl)-4-pentylphenoxy]butyl]benzimidazol-1-ium IUPAC Name: 1-methyl-3-[4-[2-(2-methylbutan-2-yl)-4-pentylphenoxy]butyl]benzimidazol-1-ium Traditional Name: 1-[4-(4-amyl-2-tert-amyl-phenoxy)butyl]-3-methyl-benzimidazol-3-ium Formula: C28H41N2O+ MolecularWeight: 421.63794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCCN2C=[N+](C3=CC=CC=C32)C)C(C)(C)CC

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCCN2C=[N+](C3=CC=CC=C32)C)C(C)(C)CC

InChI

InChI=1S/C28H41N2O/c1-6-8-9-14-23-17-18-27(24(21-23)28(3,4)7-2)31-20-13-12-19-30-22-29(5)25-15-10-11-16-26(25)30/h10-11,15-18,21-22H,6-9,12-14,19-20H2,1-5H3/q+1