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

Systemtic Name: 7-[(S)-piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-olate Openeye Name: 7-[(S)-piperidin-1-ium-1-yl(2-pyridyl)methyl]quinolin-8-olate CAS Name: 7-[(S)-1-piperidin-1-iumyl(2-pyridinyl)methyl]-8-quinolinolate IUPAC Name: 7-[(S)-piperidin-1-ium-1-yl(pyridin-2-yl)methyl]quinolin-8-olate Traditional Name: 7-[(S)-piperidin-1-ium-1-yl(2-pyridyl)methyl]quinolin-8-olate Formula: C20H21N3O MolecularWeight: 319.40024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CC=N4

InChI

InChI=1S/C20H21N3O/c24-20-16(10-9-15-7-6-12-22-18(15)20)19(17-8-2-3-11-21-17)23-13-4-1-5-14-23/h2-3,6-12,19,24H,1,4-5,13-14H2/t19-/m0/s1