4-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]carbothioylphenolate

Systemtic Name: 4-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]carbothioylphenolate Openeye Name: 4-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-carbothioyl]phenolate CAS Name: 4-[[(2R,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-sulfanylidenemethyl]phenolate IUPAC Name: 4-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-carbothioyl]phenolate Traditional Name: 4-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-carbothioyl]phenolate Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C(=S)C2=CC=C(C=C2)[O-]

Isomeric SMILES

C[C@@H]1C[NH+](C[C@@H](O1)C)C(=S)C2=CC=C(C=C2)[O-]

InChI

InChI=1S/C13H17NO2S/c1-9-7-14(8-10(2)16-9)13(17)11-3-5-12(15)6-4-11/h3-6,9-10,15H,7-8H2,1-2H3/t9-,10+