(4S,5S)-4-bromanyl-5-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-phenyl-4,5-dihydropyridazin-3-one

Systemtic Name: (4S,5S)-4-bromanyl-5-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-phenyl-4,5-dihydropyridazin-3-one Openeye Name: (4S,5S)-4-bromo-5-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-phenyl-4,5-dihydropyridazin-3-one CAS Name: (4S,5S)-4-bromo-5-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-2-phenyl-4,5-dihydropyridazin-3-one IUPAC Name: (4S,5S)-4-bromo-5-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-phenyl-4,5-dihydropyridazin-3-one Traditional Name: (4S,5S)-4-bromo-5-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]-2-phenyl-4,5-dihydropyridazin-3-one Formula: C16H23BrN4O2+2 MolecularWeight: 383.28342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)C2C=NN(C(=O)C2Br)C3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)[C@H]2C=NN(C(=O)[C@H]2Br)C3=CC=CC=C3

InChI

InChI=1S/C16H21BrN4O2/c17-15-14(20-8-6-19(7-9-20)10-11-22)12-18-21(16(15)23)13-4-2-1-3-5-13/h1-5,12,14-15,22H,6-11H2/p+2/t14-,15-/m0/s1