2-chloranyl-7,8-dimethyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline

Systemtic Name: 2-chloranyl-7,8-dimethyl-3-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]quinoline Openeye Name: 2-chloro-7,8-dimethyl-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]quinoline CAS Name: 2-chloro-7,8-dimethyl-3-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]quinoline IUPAC Name: 2-chloro-7,8-dimethyl-3-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]quinoline Traditional Name: 2-chloro-7,8-dimethyl-3-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]quinoline Formula: C17H15ClN2OS MolecularWeight: 330.8318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=CC=CC=[N+]3[O-])Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CSC3=CC=CC=[N+]3[O-])Cl)C

InChI

InChI=1S/C17H15ClN2OS/c1-11-6-7-13-9-14(17(18)19-16(13)12(11)2)10-22-15-5-3-4-8-20(15)21/h3-9H,10H2,1-2H3