(5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-bis(phenylmethyl)azanium chloride

Systemtic Name: (5-cyclopentyl-5-oxidanyl-5-phenyl-pent-2-ynyl)-bis(phenylmethyl)azanium chloride Openeye Name: dibenzyl-(5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl)ammonium chloride CAS Name: (5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)-bis(phenylmethyl)ammonium chloride IUPAC Name: dibenzyl-(5-cyclopentyl-5-hydroxy-5-phenylpent-2-ynyl)azanium chloride Traditional Name: dibenzyl-(5-cyclopentyl-5-hydroxy-5-phenyl-pent-2-ynyl)ammonium chloride Formula: C30H34ClNO MolecularWeight: 460.05006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(CC#CC[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CCC(C1)C(CC#CC[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C30H33NO.ClH/c32-30(29-20-10-11-21-29,28-18-8-3-9-19-28)22-12-13-23-31(24-26-14-4-1-5-15-26)25-27-16-6-2-7-17-27;/h1-9,14-19,29,32H,10-11,20-25H2;1H