2-(2-piperidin-1-ium-1-ylethylsulfonyl)-1,3-benzothiazole

Systemtic Name: 2-(2-piperidin-1-ium-1-ylethylsulfonyl)-1,3-benzothiazole Openeye Name: 2-(2-piperidin-1-ium-1-ylethylsulfonyl)-1,3-benzothiazole CAS Name: 2-[2-(1-piperidin-1-iumyl)ethylsulfonyl]-1,3-benzothiazole IUPAC Name: 2-(2-piperidin-1-ium-1-ylethylsulfonyl)-1,3-benzothiazole Traditional Name: 2-(2-piperidin-1-ium-1-ylethylsulfonyl)-1,3-benzothiazole Formula: C14H19N2O2S2+ MolecularWeight: 311.44286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCS(=O)(=O)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CC[NH+](CC1)CCS(=O)(=O)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C14H18N2O2S2/c17-20(18,11-10-16-8-4-1-5-9-16)14-15-12-6-2-3-7-13(12)19-14/h2-3,6-7H,1,4-5,8-11H2/p+1