1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate

Systemtic Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate Openeye Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidin-1-iumcarboxylate IUPAC Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylate Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(C2=CC=CC=C2)C(=O)[O-])CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1(C2=CC=CC=C2)C(=O)[O-])CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)