N-[4-(4-tert-butylphenyl)-5-(1-oxidanidylpyridin-1-ium-3-yl)-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-[4-(4-tert-butylphenyl)-5-(1-oxidanidylpyridin-1-ium-3-yl)-1,3-thiazol-2-yl]ethanamide Openeye Name: N-[4-(4-tert-butylphenyl)-5-(1-oxidopyridin-1-ium-3-yl)thiazol-2-yl]acetamide CAS Name: N-[4-(4-tert-butylphenyl)-5-(1-oxido-3-pyridin-1-iumyl)-2-thiazolyl]acetamide IUPAC Name: N-[4-(4-tert-butylphenyl)-5-(1-oxidopyridin-1-ium-3-yl)-1,3-thiazol-2-yl]acetamide Traditional Name: N-[4-(4-tert-butylphenyl)-5-(1-oxidopyridin-1-ium-3-yl)thiazol-2-yl]acetamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)C2=C[N+](=CC=C2)[O-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)C2=C[N+](=CC=C2)[O-])C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H21N3O2S/c1-13(24)21-19-22-17(14-7-9-16(10-8-14)20(2,3)4)18(26-19)15-6-5-11-23(25)12-15/h5-12H,1-4H3,(H,21,22,24)