sodium 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoate

Systemtic Name: sodium 4-[[1-[2-(4-cyanophenyl)ethyl]-4-oxidanyl-piperidin-4-yl]methyl-methyl-amino]benzoate Openeye Name: sodium 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoate CAS Name: sodium 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidinyl]methyl-methylamino]benzoate IUPAC Name: sodium 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxypiperidin-4-yl]methyl-methylamino]benzoate Traditional Name: sodium 4-[[1-[2-(4-cyanophenyl)ethyl]-4-hydroxy-4-piperidyl]methyl-methyl-amino]benzoate Formula: C23H26N3NaO3 MolecularWeight: 415.46061

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CN(CC1(CCN(CC1)CCC2=CC=C(C=C2)C#N)O)C3=CC=C(C=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H27N3O3.Na/c1-25(21-8-6-20(7-9-21)22(27)28)17-23(29)11-14-26(15-12-23)13-10-18-2-4-19(16-24)5-3-18;/h2-9,29H,10-15,17H2,1H3,(H,27,28);/q;+1/p-1