5-bromanyl-4-(3-morpholin-4-ium-4-ylpropylamino)-2-phenyl-pyridazin-3-one

Systemtic Name: 5-bromanyl-4-(3-morpholin-4-ium-4-ylpropylamino)-2-phenyl-pyridazin-3-one Openeye Name: 5-bromo-4-(3-morpholin-4-ium-4-ylpropylamino)-2-phenyl-pyridazin-3-one CAS Name: 5-bromo-4-[3-(4-morpholin-4-iumyl)propylamino]-2-phenyl-3-pyridazinone IUPAC Name: 5-bromo-4-(3-morpholin-4-ium-4-ylpropylamino)-2-phenylpyridazin-3-one Traditional Name: 5-bromo-4-(3-morpholin-4-ium-4-ylpropylamino)-2-phenyl-pyridazin-3-one Formula: C17H22BrN4O2+ MolecularWeight: 394.28618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C=NN(C2=O)C3=CC=CC=C3)Br

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C=NN(C2=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H21BrN4O2/c18-15-13-20-22(14-5-2-1-3-6-14)17(23)16(15)19-7-4-8-21-9-11-24-12-10-21/h1-3,5-6,13,19H,4,7-12H2/p+1