3-methyl-5-(methylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-methyl-5-(methylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,2-thiazole-4-carboxamide Openeye Name: 3-methyl-5-(methylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]isothiazole-4-carboxamide CAS Name: 3-methyl-5-(methylamino)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-isothiazolecarboxamide IUPAC Name: 3-methyl-5-(methylamino)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,2-thiazole-4-carboxamide Traditional Name: 3-methyl-5-(methylamino)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]isothiazole-4-carboxamide Formula: C16H22N5O2S+ MolecularWeight: 348.44318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)NC

Isomeric SMILES

CC1=NSC(=C1C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)NC

InChI

InChI=1S/C16H21N5O2S/c1-11-14(16(17-2)24-20-11)15(22)19-10-12-3-4-13(18-9-12)21-5-7-23-8-6-21/h3-4,9,17H,5-8,10H2,1-2H3,(H,19,22)/p+1