N-(benzimidazol-1-ylmethyl)-1-(dodecoxymethyl)pyridin-1-ium-3-amine chloride

Systemtic Name: N-(benzimidazol-1-ylmethyl)-1-(dodecoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzimidazol-1-ylmethyl)-1-(dodecoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzimidazolylmethyl)-1-(dodecoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzimidazol-1-ylmethyl)-1-(dodecoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzimidazol-1-ylmethyl-[1-(lauryloxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C26H39ClN4O MolecularWeight: 459.06706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C=NC3=CC=CC=C32.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C=NC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C26H39N4O.ClH/c1-2-3-4-5-6-7-8-9-10-13-19-31-23-29-18-14-15-24(20-29)27-21-30-22-28-25-16-11-12-17-26(25)30;/h11-12,14-18,20,22,27H,2-10,13,19,21,23H2,1H3;1H/q+1;/p-1