1-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate

Systemtic Name: 1-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate Openeye Name: 1-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate CAS Name: 1-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]sulfonylimino]-1-cyclohexa-2,5-dienylidene]ethanolate IUPAC Name: 1-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate Traditional Name: 1-[4-[(3S)-3-methylpiperidin-1-ium-1-yl]sulfonyliminocyclohexa-2,5-dien-1-ylidene]ethanolate Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)S(=O)(=O)N=C2C=CC(=C(C)[O-])C=C2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)S(=O)(=O)N=C2C=CC(=C(C)[O-])C=C2

InChI

InChI=1S/C14H20N2O3S/c1-11-4-3-9-16(10-11)20(18,19)15-14-7-5-13(6-8-14)12(2)17/h5-8,11,17H,3-4,9-10H2,1-2H3/t11-/m0/s1