4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1-propan-2-yl-3H-2,1-benzothiazole 2,2-dioxide

Systemtic Name: 4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1-propan-2-yl-3H-2,1-benzothiazole 2,2-dioxide Openeye Name: 1-isopropyl-4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-3H-2,1-benzothiazole 2,2-dioxide CAS Name: 4-[2-(3-methyl-1-imidazol-3-iumyl)ethyl]-1-propan-2-yl-3H-2,1-benzothiazole 2,2-dioxide IUPAC Name: 4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-1-propan-2-yl-3H-2,1-benzothiazole 2,2-dioxide Traditional Name: 1-isopropyl-4-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-3H-2,1-benzothiazole 2,2-dioxide Formula: C16H22N3O2S+ MolecularWeight: 320.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC(=C2CS1(=O)=O)CCN3C=C[N+](=C3)C

Isomeric SMILES

CC(C)N1C2=CC=CC(=C2CS1(=O)=O)CCN3C=C[N+](=C3)C

InChI

InChI=1S/C16H22N3O2S/c1-13(2)19-16-6-4-5-14(15(16)11-22(19,20)21)7-8-18-10-9-17(3)12-18/h4-6,9-10,12-13H,7-8,11H2,1-3H3/q+1