1-(4-bromophenyl)-3-methyl-[1,2,3]triazolo[1,5-b]isoquinolin-10-ium

Systemtic Name: 1-(4-bromophenyl)-3-methyl-[1,2,3]triazolo[1,5-b]isoquinolin-10-ium Openeye Name: 1-(4-bromophenyl)-3-methyl-triazolo[1,5-b]isoquinolin-10-ium CAS Name: 1-(4-bromophenyl)-3-methyltriazolo[1,5-b]isoquinolin-10-ium IUPAC Name: 1-(4-bromophenyl)-3-methyltriazolo[1,5-b]isoquinolin-10-ium Traditional Name: 1-(4-bromophenyl)-3-methyl-triazol[1,5-b]isoquinolin-10-ium Formula: C17H13BrN3+ MolecularWeight: 339.20922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN([N+]2=CC3=CC=CC=C3C=C12)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NN([N+]2=CC3=CC=CC=C3C=C12)C4=CC=C(C=C4)Br

InChI

InChI=1S/C17H13BrN3/c1-12-17-10-13-4-2-3-5-14(13)11-20(17)21(19-12)16-8-6-15(18)7-9-16/h2-11H,1H3/q+1