N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-4-bromanyl-benzamide

Systemtic Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-4-bromanyl-benzamide Openeye Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-4-bromo-benzamide CAS Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-4-bromobenzamide IUPAC Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-4-bromobenzamide Traditional Name: N-[2-(1H-benzimidazol-2-yl)-5-methyl-1H-pyrazol-2-ium-3-yl]-4-bromo-benzamide Formula: C18H15BrN5O+ MolecularWeight: 397.2486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C18H14BrN5O/c1-11-10-16(22-17(25)12-6-8-13(19)9-7-12)24(23-11)18-20-14-4-2-3-5-15(14)21-18/h2-10H,1H3,(H2,20,21,22,23,25)/p+1