2-[1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]-4H-1,3,4-thiadiazin-5-one bromide

Systemtic Name: 2-[1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]-4H-1,3,4-thiadiazin-5-one bromide Openeye Name: 2-[1-[2-(4-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-4-yl]-4H-1,3,4-thiadiazin-5-one bromide CAS Name: 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyridin-1-iumyl]-4H-1,3,4-thiadiazin-5-one bromide IUPAC Name: 2-[1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-yl]-4H-1,3,4-thiadiazin-5-one bromide Traditional Name: 2-[1-[2-keto-2-(4-methoxyphenyl)ethyl]pyridin-1-ium-4-yl]-4H-1,3,4-thiadiazin-5-one bromide Formula: C17H16BrN3O3S MolecularWeight: 422.29624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NNC(=O)CS3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NNC(=O)CS3.[Br-]

InChI

InChI=1S/C17H15N3O3S.BrH/c1-23-14-4-2-12(3-5-14)15(21)10-20-8-6-13(7-9-20)17-19-18-16(22)11-24-17;/h2-9H,10-11H2,1H3;1H