2-[5-(4-bromophenyl)-2,3-dihydro-1H-pyrazol-3-yl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[5-(4-bromophenyl)-2,3-dihydro-1H-pyrazol-3-yl]-1H-benzimidazol-3-ium Openeye Name: 2-[5-(4-bromophenyl)-2,3-dihydro-1H-pyrazol-3-yl]-1H-benzimidazol-3-ium CAS Name: 2-[5-(4-bromophenyl)-2,3-dihydro-1H-pyrazol-3-yl]-1H-benzimidazol-3-ium IUPAC Name: 2-[5-(4-bromophenyl)-2,3-dihydro-1H-pyrazol-3-yl]-1H-benzimidazol-3-ium Traditional Name: 2-[5-(4-bromophenyl)-3-pyrazolin-3-yl]-1H-benzimidazol-3-ium Formula: C16H14BrN4+ MolecularWeight: 342.21316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=[NH+]2)C3C=C(NN3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=[NH+]2)C3C=C(NN3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C16H13BrN4/c17-11-7-5-10(6-8-11)14-9-15(21-20-14)16-18-12-3-1-2-4-13(12)19-16/h1-9,15,20-21H,(H,18,19)/p+1