2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-morpholin-4-ium-4-ylpropyl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[3-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide Formula: C16H22N3O2S2+ MolecularWeight: 352.49478

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H21N3O2S2/c20-15(17-6-3-7-19-8-10-21-11-9-19)12-22-16-18-13-4-1-2-5-14(13)23-16/h1-2,4-5H,3,6-12H2,(H,17,20)/p+1