[1-[4-methyl-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]-pyridin-3-yl-methanone

Systemtic Name: [1-[4-methyl-5-nitro-6-(4-oxidanidylthiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]-pyridin-3-yl-methanone Openeye Name: [1-[4-methyl-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]-(3-pyridyl)methanone CAS Name: [1-[4-methyl-5-nitro-6-(4-oxido-4-thiomorpholin-4-iumyl)-2-pyrimidinyl]-1-piperazin-1-iumyl]-(3-pyridinyl)methanone IUPAC Name: [1-[4-methyl-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]-pyridin-3-ylmethanone Traditional Name: [1-[4-methyl-5-nitro-6-(4-oxidothiomorpholin-4-ium-4-yl)pyrimidin-2-yl]piperazin-1-ium-1-yl]-(3-pyridyl)methanone Formula: C19H24N7O4S+ MolecularWeight: 446.50336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)[N+]2(CCNCC2)C(=O)C3=CN=CC=C3)[N+]4(CCSCC4)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)[N+]2(CCNCC2)C(=O)C3=CN=CC=C3)[N+]4(CCSCC4)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H24N7O4S/c1-14-16(24(28)29)17(26(30)9-11-31-12-10-26)23-19(22-14)25(7-5-20-6-8-25)18(27)15-3-2-4-21-13-15/h2-4,13,20H,5-12H2,1H3/q+1