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

Systemtic Name: 5-chloranyl-7-[(S)-piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-olate Openeye Name: 5-chloro-7-[(S)-piperidin-1-ium-1-yl(2-pyridyl)methyl]quinolin-8-olate CAS Name: 5-chloro-7-[(S)-1-piperidin-1-iumyl(2-pyridinyl)methyl]-8-quinolinolate IUPAC Name: 5-chloro-7-[(S)-piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-olate Traditional Name: 5-chloro-7-[(S)-piperidin-1-ium-1-yl(2-pyridyl)methyl]quinolin-8-olate Formula: C20H20ClN3O MolecularWeight: 353.8453

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CC=CC=N2)C3=CC(=C4C=CC=NC4=C3[O-])Cl

InChI

InChI=1S/C20H20ClN3O/c21-16-13-15(20(25)18-14(16)7-6-10-23-18)19(17-8-2-3-9-22-17)24-11-4-1-5-12-24/h2-3,6-10,13,19,25H,1,4-5,11-12H2/t19-/m0/s1