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

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine chloride Openeye Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine chloride CAS Name: N-(1-benzotriazolylmethyl)-1-(octoxymethyl)-3-pyridin-1-iumamine chloride IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-(octoxymethyl)pyridin-1-ium-3-amine chloride Traditional Name: benzotriazol-1-ylmethyl-[1-(octoxymethyl)pyridin-1-ium-3-yl]amine chloride Formula: C21H30ClN5O MolecularWeight: 403.9488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N5O.ClH/c1-2-3-4-5-6-9-15-27-18-25-14-10-11-19(16-25)22-17-26-21-13-8-7-12-20(21)23-24-26;/h7-8,10-14,16,22H,2-6,9,15,17-18H2,1H3;1H/q+1;/p-1