4,4-diphenyl-1-(phenylmethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride

Systemtic Name: 4,4-diphenyl-1-(phenylmethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride Openeye Name: 1-benzyl-4,4-diphenyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride CAS Name: 4,4-diphenyl-1-(phenylmethyl)-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride IUPAC Name: 1-benzyl-4,4-diphenyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride Traditional Name: 1-benzyl-4,4-diphenyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride Formula: C33H32ClN MolecularWeight: 478.06688

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1(C2=CC=CC=C2)C3=CC=CC=C3)(CC#CC4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1C[N+](CCC1(C2=CC=CC=C2)C3=CC=CC=C3)(CC#CC4=CC=CC=C4)CC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C33H32N.ClH/c1-5-14-29(15-6-1)18-13-25-34(28-30-16-7-2-8-17-30)26-23-33(24-27-34,31-19-9-3-10-20-31)32-21-11-4-12-22-32;/h1-12,14-17,19-22H,23-28H2;1H/q+1;/p-1