[3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylimino-thiophen-2-ylidene]methanediolate

Systemtic Name: [3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylimino-thiophen-2-ylidene]methanediolate Openeye Name: [3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylimino-2-thienylidene]methanediolate CAS Name: [3-methyl-5-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonylimino]-2-thiophenylidene]methanediolate IUPAC Name: [3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyliminothiophen-2-ylidene]methanediolate Traditional Name: [3-methyl-5-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonylimino-2-thienylidene]methanediolate Formula: C12H17N2O4S2- MolecularWeight: 317.40438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)N=C2C=C(C(=C([O-])[O-])S2)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1S(=O)(=O)N=C2C=C(C(=C([O-])[O-])S2)C

InChI

InChI=1S/C12H18N2O4S2/c1-8-7-10(19-11(8)12(15)16)13-20(17,18)14-6-4-3-5-9(14)2/h7,9,15-16H,3-6H2,1-2H3/p-1/t9-/m0/s1