1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(6-ethoxy-2,2,4-trimethyl-quinolin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolinyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(6-ethoxy-2,2,4-trimethylquinolin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(6-ethoxy-2,2,4-trimethyl-1-quinolyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(C=C2C)(C)C)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C21H24N2O3S/c1-5-26-16-9-10-18-17(12-16)15(2)13-21(3,4)23(18)19(24)14-27-20-8-6-7-11-22(20)25/h6-13H,5,14H2,1-4H3