1-dodecyl-3-ethyl-benzotriazol-1-ium bromide

Systemtic Name: 1-dodecyl-3-ethyl-benzotriazol-1-ium bromide Openeye Name: 1-dodecyl-3-ethyl-benzotriazol-1-ium bromide CAS Name: 1-dodecyl-3-ethylbenzotriazol-1-ium bromide IUPAC Name: 1-dodecyl-3-ethylbenzotriazol-1-ium bromide Traditional Name: 1-ethyl-3-lauryl-benzotriazol-3-ium bromide Formula: C20H34BrN3 MolecularWeight: 396.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=NN(C2=CC=CC=C21)CC.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=NN(C2=CC=CC=C21)CC.[Br-]

InChI

InChI=1S/C20H34N3.BrH/c1-3-5-6-7-8-9-10-11-12-15-18-23-20-17-14-13-16-19(20)22(4-2)21-23;/h13-14,16-17H,3-12,15,18H2,1-2H3;1H/q+1;/p-1