1-(dodecoxymethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-imine chloride

Systemtic Name: 1-(dodecoxymethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-imine chloride Openeye Name: 1-(dodecoxymethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-imine chloride CAS Name: 1-(dodecoxymethyl)-3-[2-(1-piperidin-1-iumyl)ethyl]-2-benzimidazolimine chloride IUPAC Name: 1-(dodecoxymethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-imine chloride Traditional Name: [1-(lauryloxymethyl)-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-2-ylidene]amine chloride Formula: C27H47ClN4O MolecularWeight: 479.14128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCCC3.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOCN1C2=CC=CC=C2N(C1=N)CC[NH+]3CCCCC3.[Cl-]

InChI

InChI=1S/C27H46N4O.ClH/c1-2-3-4-5-6-7-8-9-10-16-23-32-24-31-26-18-13-12-17-25(26)30(27(31)28)22-21-29-19-14-11-15-20-29;/h12-13,17-18,28H,2-11,14-16,19-24H2,1H3;1H