4-bromanyl-2-methyl-N-[1-(phenylmethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-5-carboxamide

Systemtic Name: 4-bromanyl-2-methyl-N-[1-(phenylmethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-5-carboxamide Openeye Name: N-(1-benzylbenzimidazol-2-yl)-4-bromo-2-methyl-1H-pyrazol-2-ium-5-carboxamide CAS Name: 4-bromo-2-methyl-N-[1-(phenylmethyl)-2-benzimidazolyl]-1H-pyrazol-2-ium-5-carboxamide IUPAC Name: N-(1-benzylbenzimidazol-2-yl)-4-bromo-2-methyl-1H-pyrazol-2-ium-5-carboxamide Traditional Name: N-(1-benzylbenzimidazol-2-yl)-4-bromo-2-methyl-1H-pyrazol-2-ium-5-carboxamide Formula: C19H17BrN5O+ MolecularWeight: 411.27518

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=C(N1)C(=O)NC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)Br

Isomeric SMILES

C[N+]1=CC(=C(N1)C(=O)NC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)Br

InChI

InChI=1S/C19H16BrN5O/c1-24-12-14(20)17(23-24)18(26)22-19-21-15-9-5-6-10-16(15)25(19)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,21,22,26)/p+1