2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C19H21N4O2S2+ MolecularWeight: 401.52564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4O2S2/c24-18(13-26-19-22-15-3-1-2-4-16(15)27-19)21-12-14-5-6-17(20-11-14)23-7-9-25-10-8-23/h1-6,11H,7-10,12-13H2,(H,21,24)/p+1