1-(cyclododecyloxymethyl)-3-(phenylmethyl)benzimidazol-3-ium chloride

Systemtic Name: 1-(cyclododecyloxymethyl)-3-(phenylmethyl)benzimidazol-3-ium chloride Openeye Name: 1-benzyl-3-(cyclododecoxymethyl)benzimidazol-1-ium chloride CAS Name: 1-(cyclododecyloxymethyl)-3-(phenylmethyl)benzimidazol-3-ium chloride IUPAC Name: 1-benzyl-3-(cyclododecyloxymethyl)benzimidazol-1-ium chloride Traditional Name: 1-benzyl-3-(cyclododecoxymethyl)benzimidazol-1-ium chloride Formula: C27H37ClN2O MolecularWeight: 441.04848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)OCN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CCCCCC(CCCCC1)OCN2C=[N+](C3=CC=CC=C32)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C27H37N2O.ClH/c1-2-4-6-11-17-25(18-12-7-5-3-1)30-23-29-22-28(21-24-15-9-8-10-16-24)26-19-13-14-20-27(26)29;/h8-10,13-16,19-20,22,25H,1-7,11-12,17-18,21,23H2;1H/q+1;/p-1