(3E,5E)-1,1-dimethyl-3,5-bis(phenylmethylidene)piperidin-1-ium-4-one bromide

Systemtic Name: (3E,5E)-1,1-dimethyl-3,5-bis(phenylmethylidene)piperidin-1-ium-4-one bromide Openeye Name: (3E,5E)-3,5-dibenzylidene-1,1-dimethyl-piperidin-1-ium-4-one bromide CAS Name: (3E,5E)-1,1-dimethyl-3,5-bis(phenylmethylene)-4-piperidin-1-iumone bromide IUPAC Name: (3E,5E)-3,5-dibenzylidene-1,1-dimethylpiperidin-1-ium-4-one bromide Traditional Name: (3E,5E)-3,5-dibenzal-1,1-dimethyl-piperidin-1-ium-4-one bromide Formula: C21H22BrNO MolecularWeight: 384.30948

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1)C.[Br-]

Isomeric SMILES

C[N+]1(C/C(=C\C2=CC=CC=C2)/C(=O)/C(=C/C3=CC=CC=C3)/C1)C.[Br-]

InChI

InChI=1S/C21H22NO.BrH/c1-22(2)15-19(13-17-9-5-3-6-10-17)21(23)20(16-22)14-18-11-7-4-8-12-18;/h3-14H,15-16H2,1-2H3;1H/q+1;/p-1/b19-13+,20-14+;