methoxy-[(5S)-5-methyl-4-oxidanylidene-piperidin-1-ium-3-ylidene]methanolate

Systemtic Name: methoxy-[(5S)-5-methyl-4-oxidanylidene-piperidin-1-ium-3-ylidene]methanolate Openeye Name: methoxy-[(5S)-5-methyl-4-oxo-piperidin-1-ium-3-ylidene]methanolate CAS Name: methoxy-[(5S)-5-methyl-4-oxo-3-piperidin-1-iumylidene]methanolate IUPAC Name: methoxy-[(5S)-5-methyl-4-oxopiperidin-1-ium-3-ylidene]methanolate Traditional Name: [(5S)-4-keto-5-methyl-piperidin-1-ium-3-ylidene]-methoxy-methanolate Formula: C8H13NO3 MolecularWeight: 171.19372

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CC(=C([O-])OC)C1=O

Isomeric SMILES

C[C@H]1C[NH2+]CC(=C([O-])OC)C1=O

InChI

InChI=1S/C8H13NO3/c1-5-3-9-4-6(7(5)10)8(11)12-2/h5,9,11H,3-4H2,1-2H3/t5-/m0/s1