[2-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-5-nitro-thiophen-3-ylidene]-bis(oxidanidyl)azanium

Systemtic Name: [2-(2-methyl-1-morpholin-4-ium-4-ylidene-propan-2-yl)-5-nitro-thiophen-3-ylidene]-bis(oxidanidyl)azanium Openeye Name: [2-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-5-nitro-3-thienylidene]-dioxido-ammonium CAS Name: [2-[2-methyl-1-(4-morpholin-4-iumylidene)propan-2-yl]-5-nitro-3-thiophenylidene]-dioxidoammonium IUPAC Name: [2-(2-methyl-1-morpholin-4-ium-4-ylidenepropan-2-yl)-5-nitrothiophen-3-ylidene]-dioxidoazanium Traditional Name: [2-(1,1-dimethyl-2-morpholin-4-ium-4-ylidene-ethyl)-5-nitro-3-thienylidene]-dioxido-ammonium Formula: C12H17N3O5S MolecularWeight: 315.34548

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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\1SC(=C/C1=[N+](/[O-])\[O-])[N+](=O)[O-])(C=[N+]2CCOCC2)C

InChI

InChI=1S/C12H17N3O5S/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