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

Systemtic Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-thiophen-2-yl-methyl]quinolin-8-olate Openeye Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-(2-thienyl)methyl]quinolin-8-olate CAS Name: 7-[(S)-[(4-methyl-2-pyridin-1-iumyl)amino]-thiophen-2-ylmethyl]-8-quinolinolate IUPAC Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-thiophen-2-ylmethyl]quinolin-8-olate Traditional Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-(2-thienyl)methyl]quinolin-8-olate Formula: C20H17N3OS MolecularWeight: 347.43348

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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=CS4

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=CS4

InChI

InChI=1S/C20H17N3OS/c1-13-8-10-21-17(12-13)23-19(16-5-3-11-25-16)15-7-6-14-4-2-9-22-18(14)20(15)24/h2-12,19,24H,1H3,(H,21,23)/t19-/m0/s1