4-[(4-bromanylpyrazol-1-yl)methyl]-N-(5-bromanylquinolin-1-ium-8-yl)benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-(5-bromanylquinolin-1-ium-8-yl)benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(5-bromoquinolin-1-ium-8-yl)benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-(5-bromo-8-quinolin-1-iumyl)benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(5-bromoquinolin-1-ium-8-yl)benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-(5-bromoquinolin-1-ium-8-yl)benzamide Formula: C20H15Br2N4O+ MolecularWeight: 487.1673

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2[NH+]=C1)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)Br

Isomeric SMILES

C1=CC2=C(C=CC(=C2[NH+]=C1)NC(=O)C3=CC=C(C=C3)CN4C=C(C=N4)Br)Br

InChI

InChI=1S/C20H14Br2N4O/c21-15-10-24-26(12-15)11-13-3-5-14(6-4-13)20(27)25-18-8-7-17(22)16-2-1-9-23-19(16)18/h1-10,12H,11H2,(H,25,27)/p+1