4-[(4-bromophenyl)-pyridin-1-ium-1-yl-methyl]-1-methyl-1,2,4-triazol-4-ium-3-amine

Systemtic Name: 4-[(4-bromophenyl)-pyridin-1-ium-1-yl-methyl]-1-methyl-1,2,4-triazol-4-ium-3-amine Openeye Name: 4-[(4-bromophenyl)-pyridin-1-ium-1-yl-methyl]-1-methyl-1,2,4-triazol-4-ium-3-amine CAS Name: 4-[(4-bromophenyl)-(1-pyridin-1-iumyl)methyl]-1-methyl-1,2,4-triazol-4-ium-3-amine IUPAC Name: 4-[(4-bromophenyl)-pyridin-1-ium-1-ylmethyl]-1-methyl-1,2,4-triazol-4-ium-3-amine Traditional Name: [4-[(4-bromophenyl)-pyridin-1-ium-1-yl-methyl]-1-methyl-1,2,4-triazol-4-ium-3-yl]amine Formula: C15H16BrN5+2 MolecularWeight: 346.22504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C(=N1)N)C(C2=CC=C(C=C2)Br)[N+]3=CC=CC=C3

Isomeric SMILES

CN1C=[N+](C(=N1)N)C(C2=CC=C(C=C2)Br)[N+]3=CC=CC=C3

InChI

InChI=1S/C15H16BrN5/c1-19-11-21(15(17)18-19)14(20-9-3-2-4-10-20)12-5-7-13(16)8-6-12/h2-11,14H,1H3,(H2,17,18)/q+2