2-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-5-nitro-N-oxidanyl-thiophen-3-imine oxide

Systemtic Name: 2-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-5-nitro-N-oxidanyl-thiophen-3-imine oxide Openeye Name: 2-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-N-hydroxy-5-nitro-thiophen-3-imine oxide CAS Name: N-hydroxy-2-[2-methyl-1-(4-morpholin-4-iumylidene)propan-2-yl]-5-nitro-3-thiophenimine oxide IUPAC Name: N-hydroxy-2-(2-methyl-1-morpholin-4-ium-4-ylidenepropan-2-yl)-5-nitrothiophen-3-imine oxide Traditional Name: 2-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-N-hydroxy-5-nitro-thiophen-3-imine oxide Formula: C12H18N3O5S+ MolecularWeight: 316.35342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=[N+]1CCOCC1)C2C(=[N+](O)[O-])C=C(S2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C=[N+]1CCOCC1)C2/C(=[N+](/O)\[O-])/C=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H18N3O5S/c1-12(2,8-13-3-5-20-6-4-13)11-9(14(16)17)7-10(21-11)15(18)19/h7-8,11H,3-6H2,1-2H3,(H,16,17)/q+1