(3E,5E)-3,5-bis[(2,4-dimethylphenyl)methylidene]-1-propan-2-yl-piperidin-1-ium-4-one

Systemtic Name: (3E,5E)-3,5-bis[(2,4-dimethylphenyl)methylidene]-1-propan-2-yl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(2,4-dimethylphenyl)methylene]-1-isopropyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(2,4-dimethylphenyl)methylidene]-1-propan-2-yl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(2,4-dimethylphenyl)methylidene]-1-propan-2-ylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(2,4-dimethylbenzylidene)-1-isopropyl-piperidin-1-ium-4-one Formula: C26H32NO+ MolecularWeight: 374.53838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=C2C[NH+](CC(=CC3=C(C=C(C=C3)C)C)C2=O)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C\2/C(=O)/C(=C/C3=C(C=C(C=C3)C)C)/C[NH+](C2)C(C)C)C

InChI

InChI=1S/C26H31NO/c1-17(2)27-15-24(13-22-9-7-18(3)11-20(22)5)26(28)25(16-27)14-23-10-8-19(4)12-21(23)6/h7-14,17H,15-16H2,1-6H3/p+1/b24-13+,25-14+