sodium 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate

Systemtic Name: sodium 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate Openeye Name: sodium 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate CAS Name: sodium 4-phenyl-1-(3,3,3-triphenylpropyl)-4-piperidinecarboxylate IUPAC Name: sodium 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate Traditional Name: sodium 4-phenyl-1-(3,3,3-triphenylpropyl)isonipecotate Formula: C33H32NNaO2 MolecularWeight: 497.60245

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)[O-])CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)[O-])CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C33H33NO2.Na/c35-31(36)32(27-13-5-1-6-14-27)21-24-34(25-22-32)26-23-33(28-15-7-2-8-16-28,29-17-9-3-10-18-29)30-19-11-4-12-20-30;/h1-20H,21-26H2,(H,35,36);/q;+1/p-1