7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-(5-methylthiophen-2-yl)methyl]quinolin-8-olate

Systemtic Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-(5-methylthiophen-2-yl)methyl]quinolin-8-olate Openeye Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-(5-methyl-2-thienyl)methyl]quinolin-8-olate CAS Name: 7-[(S)-[(4-methyl-2-pyridin-1-iumyl)amino]-(5-methyl-2-thiophenyl)methyl]-8-quinolinolate IUPAC Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-(5-methylthiophen-2-yl)methyl]quinolin-8-olate Traditional Name: 7-[(S)-[(4-methylpyridin-1-ium-2-yl)amino]-(5-methyl-2-thienyl)methyl]quinolin-8-olate Formula: C21H19N3OS MolecularWeight: 361.46006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=C(S4)C

Isomeric SMILES

CC1=CC(=[NH+]C=C1)N[C@@H](C2=C(C3=C(C=CC=N3)C=C2)[O-])C4=CC=C(S4)C

InChI

InChI=1S/C21H19N3OS/c1-13-9-11-22-18(12-13)24-20(17-8-5-14(2)26-17)16-7-6-15-4-3-10-23-19(15)21(16)25/h3-12,20,25H,1-2H3,(H,22,24)/t20-/m0/s1