1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)piperidine-4-carboxamide

Systemtic Name: 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)piperidine-4-carboxamide Openeye Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)piperidine-4-carboxamide CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)isonipecotamide Formula: C21H31N4O4S+ MolecularWeight: 435.56024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32)[NH+]4CCOCC4

InChI

InChI=1S/C21H30N4O4S/c1-21(2,25-11-13-29-14-12-25)15-22-20(26)16-7-9-24(10-8-16)19-17-5-3-4-6-18(17)30(27,28)23-19/h3-6,16H,7-15H2,1-2H3,(H,22,26)/p+1