3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[[2-(4-morpholinyl)-4-pyridin-1-iumyl]methyl]-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-morpholin-4-ylpyridin-1-ium-4-yl)methyl]imidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)-N-[(2-morpholinopyridin-1-ium-4-yl)methyl]imidazole-4-carboxamide Formula: C21H23FN5O2S+ MolecularWeight: 428.503023

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)NCC3=CC(=[NH+]C=C3)N4CCOCC4

InChI

InChI=1S/C21H22FN5O2S/c1-30-21-25-14-18(27(21)17-4-2-16(22)3-5-17)20(28)24-13-15-6-7-23-19(12-15)26-8-10-29-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,24,28)/p+1