4-methyl-2-(thian-1-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 4-methyl-2-(thian-1-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 4-methyl-2-tetrahydrothiopyran-1-ium-1-yl-tetralin-1-one CAS Name: 4-methyl-2-(1-thian-1-iumyl)-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 4-methyl-2-(thian-1-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 4-methyl-2-tetrahydrothiopyran-1-ium-1-yl-tetralin-1-one Formula: C16H21OS+ MolecularWeight: 261.40234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C2=CC=CC=C12)[S+]3CCCCC3

Isomeric SMILES

CC1CC(C(=O)C2=CC=CC=C12)[S+]3CCCCC3

InChI

InChI=1S/C16H21OS/c1-12-11-15(18-9-5-2-6-10-18)16(17)14-8-4-3-7-13(12)14/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3/q+1