6-(4-methylpiperazin-4-ium-1-yl)-9-nitro-thiochromeno[2,3-b]pyridin-5-one

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)-9-nitro-thiochromeno[2,3-b]pyridin-5-one Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)-9-nitro-thiochromeno[2,3-b]pyridin-5-one CAS Name: 6-(4-methyl-1-piperazin-4-iumyl)-9-nitro-5-thiochromeno[2,3-b]pyridinone IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)-9-nitrothiochromeno[2,3-b]pyridin-5-one Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)-9-nitro-thiochromeno[2,3-b]pyridin-5-one Formula: C17H17N4O3S+ MolecularWeight: 357.40688

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])SC4=C(C3=O)C=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C(=C(C=C2)[N+](=O)[O-])SC4=C(C3=O)C=CC=N4

InChI

InChI=1S/C17H16N4O3S/c1-19-7-9-20(10-8-19)12-4-5-13(21(23)24)16-14(12)15(22)11-3-2-6-18-17(11)25-16/h2-6H,7-10H2,1H3/p+1