sodium 2-methoxy-4-[(E)-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]phenolate

Systemtic Name: sodium 2-methoxy-4-[(E)-3-oxidanylidene-3-piperidin-1-yl-prop-1-enyl]phenolate Openeye Name: sodium 2-methoxy-4-[(E)-3-oxo-3-(1-piperidyl)prop-1-enyl]phenolate CAS Name: sodium 2-methoxy-4-[(E)-3-oxo-3-(1-piperidinyl)prop-1-enyl]phenolate IUPAC Name: sodium 2-methoxy-4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenolate Traditional Name: sodium 4-[(E)-3-keto-3-piperidino-prop-1-enyl]-2-methoxy-phenolate Formula: C15H18NNaO3 MolecularWeight: 283.29809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCCCC2)[O-].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCCCC2)[O-].[Na+]

InChI

InChI=1S/C15H19NO3.Na/c1-19-14-11-12(5-7-13(14)17)6-8-15(18)16-9-3-2-4-10-16;/h5-8,11,17H,2-4,9-10H2,1H3;/q;+1/p-1/b8-6+;