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

Systemtic Name: 2-ethyl-7-[ethyl(hexyl)amino]-1H-isothiochromen-2-ium-4-one bromide Openeye Name: 2-ethyl-7-[ethyl(hexyl)amino]isothiochroman-2-ium-4-one bromide CAS Name: 2-ethyl-7-[ethyl(hexyl)amino]-1H-2-benzothiopyran-2-ium-4-one bromide IUPAC Name: 2-ethyl-7-[ethyl(hexyl)amino]-1H-isothiochromen-2-ium-4-one bromide Traditional Name: 2-ethyl-7-[ethyl(hexyl)amino]isothiochroman-2-ium-4-one bromide Formula: C19H30BrNOS MolecularWeight: 400.4166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30NOS.BrH/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;1H/q+1;/p-1