7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-pyridin-2-yl-methyl]quinolin-8-olate

Systemtic Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-pyridin-2-yl-methyl]quinolin-8-olate Openeye Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-(2-pyridyl)methyl]quinolin-8-olate CAS Name: 7-[(S)-[(4-methyl-2-pyridin-1-iumyl)amino]-(2-pyridinyl)methyl]-8-quinolinolate IUPAC Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-pyridin-2-ylmethyl]quinolin-8-olate Traditional Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-(2-pyridyl)methyl]quinolin-8-olate Formula: C21H18N4O MolecularWeight: 342.39382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CC=N4

InChI

InChI=1S/C21H18N4O/c1-14-9-12-23-18(13-14)25-20(17-6-2-3-10-22-17)16-8-7-15-5-4-11-24-19(15)21(16)26/h2-13,20,26H,1H3,(H,23,25)/t20-/m0/s1