2-[(3E)-3-[2-(dimethylamino)-2-oxidanylidene-ethylidene]-4-oxidanyl-piperidin-1-yl]-4-methyl-benzenesulfonate

Systemtic Name: 2-[(3E)-3-[2-(dimethylamino)-2-oxidanylidene-ethylidene]-4-oxidanyl-piperidin-1-yl]-4-methyl-benzenesulfonate Openeye Name: 2-[(3E)-3-[2-(dimethylamino)-2-oxo-ethylidene]-4-hydroxy-1-piperidyl]-4-methyl-benzenesulfonate CAS Name: 2-[(3E)-3-[2-(dimethylamino)-2-oxoethylidene]-4-hydroxy-1-piperidinyl]-4-methylbenzenesulfonate IUPAC Name: 2-[(3E)-3-[2-(dimethylamino)-2-oxoethylidene]-4-hydroxypiperidin-1-yl]-4-methylbenzenesulfonate Traditional Name: 2-[(3E)-3-[2-(dimethylamino)-2-keto-ethylidene]-4-hydroxy-piperidino]-4-methyl-besylate Formula: C16H21N2O5S- MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)[O-])N2CCC(C(=CC(=O)N(C)C)C2)O

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)[O-])N2CCC(/C(=C/C(=O)N(C)C)/C2)O

InChI

InChI=1S/C16H22N2O5S/c1-11-4-5-15(24(21,22)23)13(8-11)18-7-6-14(19)12(10-18)9-16(20)17(2)3/h4-5,8-9,14,19H,6-7,10H2,1-3H3,(H,21,22,23)/p-1/b12-9+