dimethyl-(2-methyl-5-oxidanyl-5,5-diphenyl-pent-3-yn-2-yl)-(phenylmethyl)azanium chloride

Systemtic Name: dimethyl-(2-methyl-5-oxidanyl-5,5-diphenyl-pent-3-yn-2-yl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-(4-hydroxy-1,1-dimethyl-4,4-diphenyl-but-2-ynyl)-dimethyl-ammonium chloride CAS Name: (5-hydroxy-2-methyl-5,5-diphenylpent-3-yn-2-yl)-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(5-hydroxy-2-methyl-5,5-diphenylpent-3-yn-2-yl)-dimethylazanium chloride Traditional Name: benzyl-(4-hydroxy-1,1-dimethyl-4,4-diphenyl-but-2-ynyl)-dimethyl-ammonium chloride Formula: C27H30ClNO MolecularWeight: 419.9862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30NO.ClH/c1-26(2,28(3,4)22-23-14-8-5-9-15-23)20-21-27(29,24-16-10-6-11-17-24)25-18-12-7-13-19-25;/h5-19,29H,22H2,1-4H3;1H/q+1;/p-1