1-methyl-3-[5,5,5-tris(chloranyl)pentyl]benzotriazol-1-ium

Systemtic Name: 1-methyl-3-[5,5,5-tris(chloranyl)pentyl]benzotriazol-1-ium Openeye Name: 1-methyl-3-(5,5,5-trichloropentyl)benzotriazol-1-ium CAS Name: 1-methyl-3-(5,5,5-trichloropentyl)benzotriazol-1-ium IUPAC Name: 1-methyl-3-(5,5,5-trichloropentyl)benzotriazol-1-ium Traditional Name: 1-methyl-3-(5,5,5-trichloropentyl)benzotriazol-1-ium Formula: C12H15Cl3N3+ MolecularWeight: 307.6266

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=NN(C2=CC=CC=C21)CCCCC(Cl)(Cl)Cl

Isomeric SMILES

C[N+]1=NN(C2=CC=CC=C21)CCCCC(Cl)(Cl)Cl

InChI

InChI=1S/C12H15Cl3N3/c1-17-10-6-2-3-7-11(10)18(16-17)9-5-4-8-12(13,14)15/h2-3,6-7H,4-5,8-9H2,1H3/q+1