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

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]thiazole-4-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-(4-propan-2-ylphenyl)-4-thiazolecarboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-p-cumenyl-thiazole-4-carboxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C23H26N4O2S/c1-16(2)18-4-6-19(7-5-18)23-26-20(15-30-23)22(28)25-14-17-3-8-21(24-13-17)27-9-11-29-12-10-27/h3-8,13,15-16H,9-12,14H2,1-2H3,(H,25,28)/p+1