(4-oxidanyl-4,4-diphenyl-but-2-ynyl)-(phenylmethyl)-propan-2-yl-azanium chloride

Systemtic Name: (4-oxidanyl-4,4-diphenyl-but-2-ynyl)-(phenylmethyl)-propan-2-yl-azanium chloride Openeye Name: benzyl-(4-hydroxy-4,4-diphenyl-but-2-ynyl)-isopropyl-ammonium chloride CAS Name: (4-hydroxy-4,4-diphenylbut-2-ynyl)-(phenylmethyl)-propan-2-ylammonium chloride IUPAC Name: benzyl-(4-hydroxy-4,4-diphenylbut-2-ynyl)-propan-2-ylazanium chloride Traditional Name: benzyl-(4-hydroxy-4,4-diphenyl-but-2-ynyl)-isopropyl-ammonium chloride Formula: C26H28ClNO MolecularWeight: 405.95962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO.ClH/c1-22(2)27(21-23-13-6-3-7-14-23)20-12-19-26(28,24-15-8-4-9-16-24)25-17-10-5-11-18-25;/h3-11,13-18,22,28H,20-21H2,1-2H3;1H