3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-[3-(1-piperidin-1-iumyl)propyl]propanamide IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)propanamide Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-N-(3-piperidin-1-ium-1-ylpropyl)propionamide Formula: C18H27N4O3S+ MolecularWeight: 379.49698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1CC[NH+](CC1)CCCNC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H26N4O3S/c23-17(19-10-6-14-22-12-4-1-5-13-22)9-11-20-18-15-7-2-3-8-16(15)26(24,25)21-18/h2-3,7-8H,1,4-6,9-14H2,(H,19,23)(H,20,21)/p+1