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

Systemtic Name: 1-[2-[2-(2,4-dipentylphenoxy)ethoxy]ethyl]-3-methyl-benzimidazol-3-ium chloride Openeye Name: 1-[2-[2-(2,4-dipentylphenoxy)ethoxy]ethyl]-3-methyl-benzimidazol-3-ium chloride CAS Name: 1-[2-[2-(2,4-dipentylphenoxy)ethoxy]ethyl]-3-methylbenzimidazol-3-ium chloride IUPAC Name: 1-[2-[2-(2,4-dipentylphenoxy)ethoxy]ethyl]-3-methylbenzimidazol-3-ium chloride Traditional Name: 1-[2-[2-(2,4-diamylphenoxy)ethoxy]ethyl]-3-methyl-benzimidazol-3-ium chloride Formula: C28H41ClN2O2 MolecularWeight: 473.09034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)OCCOCCN2C=[N+](C3=CC=CC=C32)C)CCCCC.[Cl-]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)OCCOCCN2C=[N+](C3=CC=CC=C32)C)CCCCC.[Cl-]

InChI

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