5-chloranyl-7-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate

Systemtic Name: 5-chloranyl-7-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]quinolin-8-olate CAS Name: 5-chloro-7-[[4-(2-pyridinyl)-1-piperazin-1-iumyl]methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[(4-pyridin-2-ylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Traditional Name: 5-chloro-7-[[4-(2-pyridyl)piperazin-1-ium-1-yl]methyl]quinolin-8-olate Formula: C19H19ClN4O MolecularWeight: 354.83336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C3C=CC=NC3=C2[O-])Cl)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C3C=CC=NC3=C2[O-])Cl)C4=CC=CC=N4

InChI

InChI=1S/C19H19ClN4O/c20-16-12-14(19(25)18-15(16)4-3-7-22-18)13-23-8-10-24(11-9-23)17-5-1-2-6-21-17/h1-7,12,25H,8-11,13H2