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

Systemtic Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid chloride Openeye Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid chloride CAS Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-4-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 1-(3-cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylic acid chloride Traditional Name: 1-(3-cyano-3,3-diphenyl-propyl)-4-phenyl-piperidin-1-ium-4-carboxylic acid chloride Formula: C28H29ClN2O2 MolecularWeight: 460.99506

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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.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C28H28N2O2.ClH/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);1H