N-(benzotriazol-1-ylmethyl)-1-dodecyl-pyridin-1-ium-4-amine bromide

Systemtic Name: N-(benzotriazol-1-ylmethyl)-1-dodecyl-pyridin-1-ium-4-amine bromide Openeye Name: N-(benzotriazol-1-ylmethyl)-1-dodecyl-pyridin-1-ium-4-amine bromide CAS Name: N-(1-benzotriazolylmethyl)-1-dodecyl-4-pyridin-1-iumamine bromide IUPAC Name: N-(benzotriazol-1-ylmethyl)-1-dodecylpyridin-1-ium-4-amine bromide Traditional Name: benzotriazol-1-ylmethyl-(1-laurylpyridin-1-ium-4-yl)amine bromide Formula: C24H36BrN5 MolecularWeight: 474.48014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=C(C=C1)NCN2C3=CC=CC=C3N=N2.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=C(C=C1)NCN2C3=CC=CC=C3N=N2.[Br-]

InChI

InChI=1S/C24H35N5.BrH/c1-2-3-4-5-6-7-8-9-10-13-18-28-19-16-22(17-20-28)25-21-29-24-15-12-11-14-23(24)26-27-29;/h11-12,14-17,19-20H,2-10,13,18,21H2,1H3;1H