5,5-diphenylpent-4-en-2-ynyl-bis(phenylmethyl)azanium chloride

Systemtic Name: 5,5-diphenylpent-4-en-2-ynyl-bis(phenylmethyl)azanium chloride Openeye Name: dibenzyl(5,5-diphenylpent-4-en-2-ynyl)ammonium chloride CAS Name: 5,5-diphenylpent-4-en-2-ynyl-bis(phenylmethyl)ammonium chloride IUPAC Name: dibenzyl(5,5-diphenylpent-4-en-2-ynyl)azanium chloride Traditional Name: dibenzyl(5,5-diphenylpent-4-en-2-ynyl)ammonium chloride Formula: C31H28ClN MolecularWeight: 450.01372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CC#CC=C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CC#CC=C(C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C31H27N.ClH/c1-5-15-27(16-6-1)25-32(26-28-17-7-2-8-18-28)24-14-13-23-31(29-19-9-3-10-20-29)30-21-11-4-12-22-30;/h1-12,15-23H,24-26H2;1H