5-methyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide

Systemtic Name: 5-methyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-[4-(1-piperidin-1-iumylmethyl)-2-thiazolyl]-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-[4-(piperidin-1-ium-1-ylmethyl)thiazol-2-yl]isoxazole-4-carboxamide Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=NC(=CS3)C[NH+]4CCCCC4

InChI

InChI=1S/C20H22N4O2S/c1-14-17(18(23-26-14)15-8-4-2-5-9-15)19(25)22-20-21-16(13-27-20)12-24-10-6-3-7-11-24/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,21,22,25)/p+1