sodium (E)-methoxy-[4-oxidanylidene-1-(phenylmethyl)piperidin-3-ylidene]methanolate

Systemtic Name: sodium (E)-methoxy-[4-oxidanylidene-1-(phenylmethyl)piperidin-3-ylidene]methanolate Openeye Name: sodium (E)-(1-benzyl-4-oxo-3-piperidylidene)-methoxy-methanolate CAS Name: sodium (E)-methoxy-[4-oxo-1-(phenylmethyl)-3-piperidinylidene]methanolate IUPAC Name: sodium (E)-(1-benzyl-4-oxopiperidin-3-ylidene)-methoxymethanolate Traditional Name: sodium (E)-(1-benzyl-4-keto-3-piperidylidene)-methoxy-methanolate Formula: C14H16NNaO3 MolecularWeight: 269.27151

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Descriptors Computed from Structure

Canonical SMILES:

COC(=C1CN(CCC1=O)CC2=CC=CC=C2)[O-].[Na+]

Isomeric SMILES

CO/C(=C/1\CN(CCC1=O)CC2=CC=CC=C2)/[O-].[Na+]

InChI

InChI=1S/C14H17NO3.Na/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11;/h2-6,17H,7-10H2,1H3;/q;+1/p-1/b14-12+;