[6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanediolate

Systemtic Name: [6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanediolate Openeye Name: [6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanediolate CAS Name: [6-[[(2S)-2-methyl-1-piperidin-1-iumyl]sulfonylimino]-1-cyclohexa-2,4-dienylidene]methanediolate IUPAC Name: [6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanediolate Traditional Name: [6-[(2S)-2-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,4-dien-1-ylidene]methanediolate Formula: C13H17N2O4S- MolecularWeight: 297.35008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1S(=O)(=O)N=C2C=CC=CC2=C([O-])[O-]

Isomeric SMILES

C[C@H]1CCCC[NH+]1S(=O)(=O)N=C2C=CC=CC2=C([O-])[O-]

InChI

InChI=1S/C13H18N2O4S/c1-10-6-4-5-9-15(10)20(18,19)14-12-8-3-2-7-11(12)13(16)17/h2-3,7-8,10,16-17H,4-6,9H2,1H3/p-1/t10-/m0/s1