5,6-dimethyl-1,3-bis(phenylmethyl)benzotriazol-3-ium bromide

Systemtic Name: 5,6-dimethyl-1,3-bis(phenylmethyl)benzotriazol-3-ium bromide Openeye Name: 1,3-dibenzyl-5,6-dimethyl-benzotriazol-3-ium bromide CAS Name: 5,6-dimethyl-1,3-bis(phenylmethyl)benzotriazol-3-ium bromide IUPAC Name: 1,3-dibenzyl-5,6-dimethylbenzotriazol-3-ium bromide Traditional Name: 1,3-dibenzyl-5,6-dimethyl-benzotriazol-3-ium bromide Formula: C22H22BrN3 MolecularWeight: 408.33418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)[N+](=NN2CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1C)[N+](=NN2CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H22N3.BrH/c1-17-13-21-22(14-18(17)2)25(16-20-11-7-4-8-12-20)23-24(21)15-19-9-5-3-6-10-19;/h3-14H,15-16H2,1-2H3;1H/q+1;/p-1