6-[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoyl]-3,4-dihydroquinolin-2-olate

Systemtic Name: 6-[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)ethanoyl]-3,4-dihydroquinolin-2-olate Openeye Name: 6-[2-(4,5-dimethylthiazol-3-ium-3-yl)acetyl]-3,4-dihydroquinolin-2-olate CAS Name: 6-[2-(4,5-dimethyl-3-thiazol-3-iumyl)-1-oxoethyl]-3,4-dihydroquinolin-2-olate IUPAC Name: 6-[2-(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)acetyl]-3,4-dihydroquinolin-2-olate Traditional Name: 6-[2-(4,5-dimethylthiazol-3-ium-3-yl)acetyl]-3,4-dihydroquinolin-2-olate Formula: C16H16N2O2S MolecularWeight: 300.37544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC(=O)C2=CC3=C(C=C2)N=C(CC3)[O-])C

Isomeric SMILES

CC1=C(SC=[N+]1CC(=O)C2=CC3=C(C=C2)N=C(CC3)[O-])C

InChI

InChI=1S/C16H16N2O2S/c1-10-11(2)21-9-18(10)8-15(19)13-3-5-14-12(7-13)4-6-16(20)17-14/h3,5,7,9H,4,6,8H2,1-2H3