3-methoxy-N-(3-oxidanylpyridin-1-ium-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide

Systemtic Name: 3-methoxy-N-(3-oxidanylpyridin-1-ium-2-yl)-4-(1,3-thiazol-4-ylmethoxy)benzamide Openeye Name: N-(3-hydroxypyridin-1-ium-2-yl)-3-methoxy-4-(thiazol-4-ylmethoxy)benzamide CAS Name: N-(3-hydroxy-2-pyridin-1-iumyl)-3-methoxy-4-(4-thiazolylmethoxy)benzamide IUPAC Name: N-(3-hydroxypyridin-1-ium-2-yl)-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide Traditional Name: N-(3-hydroxypyridin-1-ium-2-yl)-3-methoxy-4-(thiazol-4-ylmethoxy)benzamide Formula: C17H16N3O4S+ MolecularWeight: 358.39164

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=[NH+]2)O)OCC3=CSC=N3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=[NH+]2)O)OCC3=CSC=N3

InChI

InChI=1S/C17H15N3O4S/c1-23-15-7-11(17(22)20-16-13(21)3-2-6-18-16)4-5-14(15)24-8-12-9-25-10-19-12/h2-7,9-10,21H,8H2,1H3,(H,18,20,22)/p+1