1-selenophen-2-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide

Systemtic Name: 1-selenophen-2-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide Openeye Name: 1-selenophen-2-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide CAS Name: 1-(2-selenophenyl)-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)-1-propanone bromide IUPAC Name: 1-selenophen-2-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide Traditional Name: 1-selenophen-2-yl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-3-yl)propan-1-one bromide Formula: C14H16BrNOSSe MolecularWeight: 405.21194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C[Se]1)[N+]2=CSC3=C2CCCC3.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC=C[Se]1)[N+]2=CSC3=C2CCCC3.[Br-]

InChI

InChI=1S/C14H16NOSSe.BrH/c1-10(14(16)13-7-4-8-18-13)15-9-17-12-6-3-2-5-11(12)15;/h4,7-10H,2-3,5-6H2,1H3;1H/q+1;/p-1