(2,2-dimethyl-5-oxidanylidene-3-phenacyl-5-phenyl-pentyl)-dimethyl-(phenylmethyl)azanium chloride

Systemtic Name: (2,2-dimethyl-5-oxidanylidene-3-phenacyl-5-phenyl-pentyl)-dimethyl-(phenylmethyl)azanium chloride Openeye Name: benzyl-(2,2-dimethyl-5-oxo-3-phenacyl-5-phenyl-pentyl)-dimethyl-ammonium chloride CAS Name: (2,2-dimethyl-5-oxo-3-phenacyl-5-phenylpentyl)-dimethyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(2,2-dimethyl-5-oxo-3-phenacyl-5-phenylpentyl)-dimethylazanium chloride Traditional Name: benzyl-(5-keto-2,2-dimethyl-3-phenacyl-5-phenyl-pentyl)-dimethyl-ammonium chloride Formula: C30H36ClNO2 MolecularWeight: 478.06534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[N+](C)(C)CC1=CC=CC=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(C)(C[N+](C)(C)CC1=CC=CC=C1)C(CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C30H36NO2.ClH/c1-30(2,23-31(3,4)22-24-14-8-5-9-15-24)27(20-28(32)25-16-10-6-11-17-25)21-29(33)26-18-12-7-13-19-26;/h5-19,27H,20-23H2,1-4H3;1H/q+1;/p-1