1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrrole-2-carboxamide

Systemtic Name: 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrrole-2-carboxamide Openeye Name: 1-methyl-4-(2-methylthiazol-4-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrrole-2-carboxamide CAS Name: 1-methyl-4-(2-methyl-4-thiazolyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-pyrrolecarboxamide IUPAC Name: 1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]pyrrole-2-carboxamide Traditional Name: 1-methyl-4-(2-methylthiazol-4-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]pyrrole-2-carboxamide Formula: C20H24N5O2S+ MolecularWeight: 398.50186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CN(C(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)C

Isomeric SMILES

CC1=NC(=CS1)C2=CN(C(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4)C

InChI

InChI=1S/C20H23N5O2S/c1-14-23-17(13-28-14)16-9-18(24(2)12-16)20(26)22-11-15-3-4-19(21-10-15)25-5-7-27-8-6-25/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,22,26)/p+1