2-ethyl-7-[ethyl(hexyl)amino]-1H-isothiochromen-2-ium-4-one

Systemtic Name: 2-ethyl-7-[ethyl(hexyl)amino]-1H-isothiochromen-2-ium-4-one Openeye Name: 2-ethyl-7-[ethyl(hexyl)amino]isothiochroman-2-ium-4-one CAS Name: 2-ethyl-7-[ethyl(hexyl)amino]-1H-2-benzothiopyran-2-ium-4-one IUPAC Name: 2-ethyl-7-[ethyl(hexyl)amino]-1H-isothiochromen-2-ium-4-one Traditional Name: 2-ethyl-7-[ethyl(hexyl)amino]isothiochroman-2-ium-4-one Formula: C19H30NOS+ MolecularWeight: 320.5126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CC)C1=CC2=C(C=C1)C(=O)C[S+](C2)CC

Isomeric SMILES

CCCCCCN(CC)C1=CC2=C(C=C1)C(=O)C[S+](C2)CC

InChI

InChI=1S/C19H30NOS/c1-4-7-8-9-12-20(5-2)17-10-11-18-16(13-17)14-22(6-3)15-19(18)21/h10-11,13H,4-9,12,14-15H2,1-3H3/q+1