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

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-(undecoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzotriazol-1-ylmethyl)-1-(undecoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzotriazolylmethyl)-1-(undecoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-(undecoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzotriazol-1-ylmethyl-[1-(undecoxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C24H36ClN5O MolecularWeight: 446.02854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C3=CC=CC=C3N=N2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCOC[N+]1=CC=CC(=C1)NCN2C3=CC=CC=C3N=N2.[Cl-]

InChI

InChI=1S/C24H36N5O.ClH/c1-2-3-4-5-6-7-8-9-12-18-30-21-28-17-13-14-22(19-28)25-20-29-24-16-11-10-15-23(24)26-27-29;/h10-11,13-17,19,25H,2-9,12,18,20-21H2,1H3;1H/q+1;/p-1