6-[2-(4,5-dioctyl-1,3-thiazol-3-ium-3-yl)ethanoyl]-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 6-[2-(4,5-dioctyl-1,3-thiazol-3-ium-3-yl)ethanoyl]-3,4-dihydro-1H-quinolin-2-one Openeye Name: 6-[2-(4,5-dioctylthiazol-3-ium-3-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[2-(4,5-dioctyl-3-thiazol-3-iumyl)-1-oxoethyl]-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 6-[2-(4,5-dioctyl-1,3-thiazol-3-ium-3-yl)acetyl]-3,4-dihydro-1H-quinolin-2-one Traditional Name: 6-[2-(4,5-dioctylthiazol-3-ium-3-yl)acetyl]-3,4-dihydrocarbostyril Formula: C30H45N2O2S+ MolecularWeight: 497.7555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(SC=[N+]1CC(=O)C2=CC3=C(C=C2)NC(=O)CC3)CCCCCCCC

Isomeric SMILES

CCCCCCCCC1=C(SC=[N+]1CC(=O)C2=CC3=C(C=C2)NC(=O)CC3)CCCCCCCC

InChI

InChI=1S/C30H44N2O2S/c1-3-5-7-9-11-13-15-27-29(16-14-12-10-8-6-4-2)35-23-32(27)22-28(33)25-17-19-26-24(21-25)18-20-30(34)31-26/h17,19,21,23H,3-16,18,20,22H2,1-2H3/p+1