N-[1-(benzotriazol-1-yl)octyl]-1-methyl-pyridin-1-ium-4-amine iodide

Systemtic Name: N-[1-(benzotriazol-1-yl)octyl]-1-methyl-pyridin-1-ium-4-amine iodide Openeye Name: N-[1-(benzotriazol-1-yl)octyl]-1-methyl-pyridin-1-ium-4-amine iodide CAS Name: N-[1-(1-benzotriazolyl)octyl]-1-methyl-4-pyridin-1-iumamine iodide IUPAC Name: N-[1-(benzotriazol-1-yl)octyl]-1-methylpyridin-1-ium-4-amine iodide Traditional Name: 1-(benzotriazol-1-yl)octyl-(1-methylpyridin-1-ium-4-yl)amine iodide Formula: C20H28IN5 MolecularWeight: 465.37429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(NC1=CC=[N+](C=C1)C)N2C3=CC=CC=C3N=N2.[I-]

Isomeric SMILES

CCCCCCCC(NC1=CC=[N+](C=C1)C)N2C3=CC=CC=C3N=N2.[I-]

InChI

InChI=1S/C20H27N5.HI/c1-3-4-5-6-7-12-20(21-17-13-15-24(2)16-14-17)25-19-11-9-8-10-18(19)22-23-25;/h8-11,13-16,20H,3-7,12H2,1-2H3;1H