2-chloranyl-3-piperazin-4-ium-1-yl-1-benzothiophene 1,1-dioxide chloride

Systemtic Name: 2-chloranyl-3-piperazin-4-ium-1-yl-1-benzothiophene 1,1-dioxide chloride Openeye Name: 2-chloro-3-piperazin-4-ium-1-yl-benzothiophene 1,1-dioxide chloride CAS Name: 2-chloro-3-(1-piperazin-4-iumyl)-1-benzothiophene 1,1-dioxide chloride IUPAC Name: 2-chloro-3-piperazin-4-ium-1-yl-1-benzothiophene 1,1-dioxide chloride Traditional Name: 2-chloro-3-piperazin-4-ium-1-yl-benzothiophene 1,1-dioxide chloride Formula: C12H14Cl2N2O2S MolecularWeight: 321.22276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(S(=O)(=O)C3=CC=CC=C32)Cl.[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(S(=O)(=O)C3=CC=CC=C32)Cl.[Cl-]

InChI

InChI=1S/C12H13ClN2O2S.ClH/c13-12-11(15-7-5-14-6-8-15)9-3-1-2-4-10(9)18(12,16)17;/h1-4,14H,5-8H2;1H