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

Systemtic Name: 2-[(4-methylphenoxy)methyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-methylphenoxy)methyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]thiazole-4-carboxamide CAS Name: 2-[(4-methylphenoxy)methyl]-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-thiazolecarboxamide IUPAC Name: 2-[(4-methylphenoxy)methyl]-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(4-methylphenoxy)methyl]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]thiazole-4-carboxamide Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C22H24N4O3S/c1-16-2-5-18(6-3-16)29-14-21-25-19(15-30-21)22(27)24-13-17-4-7-20(23-12-17)26-8-10-28-11-9-26/h2-7,12,15H,8-11,13-14H2,1H3,(H,24,27)/p+1