sodium 1-[2-[4-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethyl]piperidine-4-carboxylate

Systemtic Name: sodium 1-[2-[4-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenoxy]ethyl]piperidine-4-carboxylate Openeye Name: sodium 1-[2-[4-[(E)-3-amino-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]ethyl]piperidine-4-carboxylate CAS Name: sodium 1-[2-[4-[(E)-3-amino-3-oxoprop-1-enyl]-2-methoxyphenoxy]ethyl]-4-piperidinecarboxylate IUPAC Name: sodium 1-[2-[4-[(E)-3-amino-3-oxoprop-1-enyl]-2-methoxyphenoxy]ethyl]piperidine-4-carboxylate Traditional Name: sodium 1-[2-[4-[(E)-3-amino-3-keto-prop-1-enyl]-2-methoxy-phenoxy]ethyl]isonipecotate Formula: C18H23N2NaO5 MolecularWeight: 370.37539

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)N)OCCN2CCC(CC2)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)N)OCCN2CCC(CC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H24N2O5.Na/c1-24-16-12-13(3-5-17(19)21)2-4-15(16)25-11-10-20-8-6-14(7-9-20)18(22)23;/h2-5,12,14H,6-11H2,1H3,(H2,19,21)(H,22,23);/q;+1/p-1/b5-3+;