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

Systemtic Name: N-(benzimidazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzimidazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzimidazolylmethyl)-1-(octoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzimidazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzimidazol-1-ylmethyl-[1-(octoxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C22H31ClN4O MolecularWeight: 402.96074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N4O.ClH/c1-2-3-4-5-6-9-15-27-19-25-14-10-11-20(16-25)23-17-26-18-24-21-12-7-8-13-22(21)26;/h7-8,10-14,16,18,23H,2-6,9,15,17,19H2,1H3;1H/q+1;/p-1