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

Systemtic Name: N-(5-bromanylquinolin-1-ium-8-yl)-4-[(4-chloranylpyrazol-1-yl)methyl]benzamide Openeye Name: N-(5-bromoquinolin-1-ium-8-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide CAS Name: N-(5-bromo-8-quinolin-1-iumyl)-4-[(4-chloro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(5-bromoquinolin-1-ium-8-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide Traditional Name: N-(5-bromoquinolin-1-ium-8-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide Formula: C20H15BrClN4O+ MolecularWeight: 442.7163

Click to see the large picture

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)Cl)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrClN4O/c21-17-7-8-18(19-16(17)2-1-9-23-19)25-20(27)14-5-3-13(4-6-14)11-26-12-15(22)10-24-26/h1-10,12H,11H2,(H,25,27)/p+1