sodium 2-[[(2R,6S)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]benzoate

Systemtic Name: sodium 2-[[(2R,6S)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]benzoate Openeye Name: sodium 2-[[(2R,6S)-2,6-bis(3-methyl-2-pyridyl)-1-piperidyl]methyl]benzoate CAS Name: sodium 2-[[(2R,6S)-2,6-bis(3-methyl-2-pyridinyl)-1-piperidinyl]methyl]benzoate IUPAC Name: sodium 2-[[(2R,6S)-2,6-bis(3-methylpyridin-2-yl)piperidin-1-yl]methyl]benzoate Traditional Name: sodium 2-[[(2R,6S)-2,6-bis(3-methyl-2-pyridyl)piperidino]methyl]benzoate Formula: C25H26N3NaO2 MolecularWeight: 423.48261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C2CCCC(N2CC3=CC=CC=C3C(=O)[O-])C4=C(C=CC=N4)C.[Na+]

Isomeric SMILES

CC1=C(N=CC=C1)[C@H]2CCC[C@H](N2CC3=CC=CC=C3C(=O)[O-])C4=C(C=CC=N4)C.[Na+]

InChI

InChI=1S/C25H27N3O2.Na/c1-17-8-6-14-26-23(17)21-12-5-13-22(24-18(2)9-7-15-27-24)28(21)16-19-10-3-4-11-20(19)25(29)30;/h3-4,6-11,14-15,21-22H,5,12-13,16H2,1-2H3,(H,29,30);/q;+1/p-1/t21-,22+;