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

Systemtic Name: disodium 2-methoxy-4-[(E)-3-(4-methoxycarbonylpiperidin-1-yl)-3-oxidanylidene-prop-1-enyl]phenolate Openeye Name: disodium 2-methoxy-4-[(E)-3-(4-methoxycarbonyl-1-piperidyl)-3-oxo-prop-1-enyl]phenolate CAS Name: disodium 2-methoxy-4-[(E)-3-(4-methoxycarbonyl-1-piperidinyl)-3-oxoprop-1-enyl]phenolate IUPAC Name: disodium 2-methoxy-4-[(E)-3-(4-methoxycarbonylpiperidin-1-yl)-3-oxoprop-1-enyl]phenolate Traditional Name: disodium 4-[(E)-3-(4-carbomethoxypiperidino)-3-keto-prop-1-enyl]-2-methoxy-phenolate Formula: C17H20NNa2O5+ MolecularWeight: 364.32394

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N2CCC(CC2)C(=O)OC)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N2CCC(CC2)C(=O)OC)[O-].[Na+].[Na+]

InChI

InChI=1S/C17H21NO5.2Na/c1-22-15-11-12(3-5-14(15)19)4-6-16(20)18-9-7-13(8-10-18)17(21)23-2;;/h3-6,11,13,19H,7-10H2,1-2H3;;/q;2*+1/p-1/b6-4+;;