1,1,2,6-tetramethyl-4,4-diphenyl-piperidin-1-ium-3-one bromide

Systemtic Name: 1,1,2,6-tetramethyl-4,4-diphenyl-piperidin-1-ium-3-one bromide Openeye Name: 1,1,2,6-tetramethyl-4,4-diphenyl-piperidin-1-ium-3-one bromide CAS Name: 1,1,2,6-tetramethyl-4,4-diphenyl-3-piperidin-1-iumone bromide IUPAC Name: 1,1,2,6-tetramethyl-4,4-diphenylpiperidin-1-ium-3-one bromide Traditional Name: 1,1,2,6-tetramethyl-4,4-diphenyl-piperidin-1-ium-3-one bromide Formula: C21H26BrNO MolecularWeight: 388.34124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)C([N+]1(C)C)C)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1CC(C(=O)C([N+]1(C)C)C)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C21H26NO.BrH/c1-16-15-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)17(2)22(16,3)4;/h5-14,16-17H,15H2,1-4H3;1H/q+1;/p-1