1-[4-(2,4-dipentylphenoxy)butyl]-3-methyl-benzimidazol-3-ium chloride

Systemtic Name: 1-[4-(2,4-dipentylphenoxy)butyl]-3-methyl-benzimidazol-3-ium chloride Openeye Name: 1-[4-(2,4-dipentylphenoxy)butyl]-3-methyl-benzimidazol-3-ium chloride CAS Name: 1-[4-(2,4-dipentylphenoxy)butyl]-3-methylbenzimidazol-3-ium chloride IUPAC Name: 1-[4-(2,4-dipentylphenoxy)butyl]-3-methylbenzimidazol-3-ium chloride Traditional Name: 1-[4-(2,4-diamylphenoxy)butyl]-3-methyl-benzimidazol-3-ium chloride Formula: C28H41ClN2O MolecularWeight: 457.09094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCCCN2C=[N+](C3=CC=CC=C32)C)CCCCC.[Cl-]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCCCN2C=[N+](C3=CC=CC=C32)C)CCCCC.[Cl-]

InChI

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