benzotriazol-1-ylmethyl-[2-(4-bromanylphenoxy)ethyl]-methyl-azanium

Systemtic Name: benzotriazol-1-ylmethyl-[2-(4-bromanylphenoxy)ethyl]-methyl-azanium Openeye Name: benzotriazol-1-ylmethyl-[2-(4-bromophenoxy)ethyl]-methyl-ammonium CAS Name: 1-benzotriazolylmethyl-[2-(4-bromophenoxy)ethyl]-methylammonium IUPAC Name: benzotriazol-1-ylmethyl-[2-(4-bromophenoxy)ethyl]-methylazanium Traditional Name: benzotriazol-1-ylmethyl-[2-(4-bromophenoxy)ethyl]-methyl-ammonium Formula: C16H18BrN4O+ MolecularWeight: 362.24432

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Br)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Br)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H17BrN4O/c1-20(10-11-22-14-8-6-13(17)7-9-14)12-21-16-5-3-2-4-15(16)18-19-21/h2-9H,10-12H2,1H3/p+1