sodium 2-(1-methylpyrrolidin-3-yl)oxy-5-phenyl-pyridine-3-carboxylate

Systemtic Name: sodium 2-(1-methylpyrrolidin-3-yl)oxy-5-phenyl-pyridine-3-carboxylate Openeye Name: sodium 2-(1-methylpyrrolidin-3-yl)oxy-5-phenyl-pyridine-3-carboxylate CAS Name: sodium 2-[(1-methyl-3-pyrrolidinyl)oxy]-5-phenyl-3-pyridinecarboxylate IUPAC Name: sodium 2-(1-methylpyrrolidin-3-yl)oxy-5-phenylpyridine-3-carboxylate Traditional Name: sodium 2-(1-methylpyrrolidin-3-yl)oxy-5-phenyl-nicotinate Formula: C17H17N2NaO3 MolecularWeight: 320.31825

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(C1)OC2=C(C=C(C=N2)C3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CN1CCC(C1)OC2=C(C=C(C=N2)C3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C17H18N2O3.Na/c1-19-8-7-14(11-19)22-16-15(17(20)21)9-13(10-18-16)12-5-3-2-4-6-12;/h2-6,9-10,14H,7-8,11H2,1H3,(H,20,21);/q;+1/p-1