2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H26N4O3S/c1-3-10-22-11-8-14(9-12-22)19-17(23)13-21(2)18-15-6-4-5-7-16(15)26(24,25)20-18/h4-7,14H,3,8-13H2,1-2H3,(H,19,23)/p+1