2-methylsulfanyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]imidazole-4-carboxamide

Systemtic Name: 2-methylsulfanyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]imidazole-4-carboxamide Openeye Name: 2-methylsulfanyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]imidazole-4-carboxamide CAS Name: 2-(methylthio)-3-phenyl-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-4-imidazolecarboxamide IUPAC Name: 2-methylsulfanyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]imidazole-4-carboxamide Traditional Name: 2-(methylthio)-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]imidazole-4-carboxamide Formula: C20H24N5OS2+ MolecularWeight: 414.56746

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

Isomeric SMILES

CSC1=NC=C(N1C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

InChI

InChI=1S/C20H23N5OS2/c1-27-20-21-12-17(25(20)16-8-4-2-5-9-16)18(26)23-19-22-15(14-28-19)13-24-10-6-3-7-11-24/h2,4-5,8-9,12,14H,3,6-7,10-11,13H2,1H3,(H,22,23,26)/p+1