1-(5,5-diphenylpent-2-ynyl)-1-(phenylmethyl)piperidin-1-ium chloride

Systemtic Name: 1-(5,5-diphenylpent-2-ynyl)-1-(phenylmethyl)piperidin-1-ium chloride Openeye Name: 1-benzyl-1-(5,5-diphenylpent-2-ynyl)piperidin-1-ium chloride CAS Name: 1-(5,5-diphenylpent-2-ynyl)-1-(phenylmethyl)piperidin-1-ium chloride IUPAC Name: 1-benzyl-1-(5,5-diphenylpent-2-ynyl)piperidin-1-ium chloride Traditional Name: 1-benzyl-1-(5,5-diphenylpent-2-ynyl)piperidin-1-ium chloride Formula: C29H32ClN MolecularWeight: 430.02408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](CC1)(CC#CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CC[N+](CC1)(CC#CCC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C29H32N.ClH/c1-5-15-26(16-6-1)25-30(22-12-4-13-23-30)24-14-11-21-29(27-17-7-2-8-18-27)28-19-9-3-10-20-28;/h1-3,5-10,15-20,29H,4,12-13,21-25H2;1H/q+1;/p-1