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

Systemtic Name: N-(benzimidazol-1-ylmethyl)-1-(nonoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzimidazol-1-ylmethyl)-1-(nonoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzimidazolylmethyl)-1-(nonoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzimidazol-1-ylmethyl)-1-(nonoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzimidazol-1-ylmethyl-[1-(nonoxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C23H33ClN4O MolecularWeight: 416.98732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N4O.ClH/c1-2-3-4-5-6-7-10-16-28-20-26-15-11-12-21(17-26)24-18-27-19-25-22-13-8-9-14-23(22)27;/h8-9,11-15,17,19,24H,2-7,10,16,18,20H2,1H3;1H/q+1;/p-1