3-bromanyl-N-[5-methyl-2-[1-(phenylmethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]benzamide

Systemtic Name: 3-bromanyl-N-[5-methyl-2-[1-(phenylmethyl)benzimidazol-2-yl]-1H-pyrazol-2-ium-3-yl]benzamide Openeye Name: N-[2-(1-benzylbenzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-3-bromo-benzamide CAS Name: 3-bromo-N-[5-methyl-2-[1-(phenylmethyl)-2-benzimidazolyl]-1H-pyrazol-2-ium-3-yl]benzamide IUPAC Name: N-[2-(1-benzylbenzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-3-bromobenzamide Traditional Name: N-[2-(1-benzylbenzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-3-bromo-benzamide Formula: C25H21BrN5O+ MolecularWeight: 487.37114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C25H20BrN5O/c1-17-14-23(28-24(32)19-10-7-11-20(26)15-19)31(29-17)25-27-21-12-5-6-13-22(21)30(25)16-18-8-3-2-4-9-18/h2-15H,16H2,1H3,(H,28,29,32)/p+1