1-(3-cyano-3,3-diphenyl-propyl)-1-oxidanidyl-4-phenyl-piperidin-1-ium-4-carboxylic acid

Systemtic Name: 1-(3-cyano-3,3-diphenyl-propyl)-1-oxidanidyl-4-phenyl-piperidin-1-ium-4-carboxylic acid Openeye Name: 1-(3-cyano-3,3-diphenyl-propyl)-1-oxido-4-phenyl-piperidin-1-ium-4-carboxylic acid CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-1-oxido-4-phenyl-4-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(3-cyano-3,3-diphenylpropyl)-1-oxido-4-phenylpiperidin-1-ium-4-carboxylic acid Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-1-oxido-4-phenyl-piperidin-1-ium-4-carboxylic acid Formula: C28H28N2O3 MolecularWeight: 440.53352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O3/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30(33)19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23/h1-15H,16-21H2,(H,31,32)