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

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-(nonoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzotriazol-1-ylmethyl)-1-(nonoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzotriazolylmethyl)-1-(nonoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-(nonoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzotriazol-1-ylmethyl-[1-(nonoxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C22H32ClN5O MolecularWeight: 417.97538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N5O.ClH/c1-2-3-4-5-6-7-10-16-28-19-26-15-11-12-20(17-26)23-18-27-22-14-9-8-13-21(22)24-25-27;/h8-9,11-15,17,23H,2-7,10,16,18-19H2,1H3;1H/q+1;/p-1