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

Systemtic Name: N-(benzimidazol-1-ylmethyl)-1-(undecoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzimidazol-1-ylmethyl)-1-(undecoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzimidazolylmethyl)-1-(undecoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzimidazol-1-ylmethyl)-1-(undecoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzimidazol-1-ylmethyl-[1-(undecoxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C25H37ClN4O MolecularWeight: 445.04048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H37N4O.ClH/c1-2-3-4-5-6-7-8-9-12-18-30-22-28-17-13-14-23(19-28)26-20-29-21-27-24-15-10-11-16-25(24)29;/h10-11,13-17,19,21,26H,2-9,12,18,20,22H2,1H3;1H/q+1;/p-1