(3E,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-methyl-piperidin-1-ium-4-one

Systemtic Name: (3E,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-methyl-piperidin-1-ium-4-one Openeye Name: (3E,5E)-3,5-bis[(4-ethoxyphenyl)methylene]-1-methyl-piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-methyl-4-piperidin-1-iumone IUPAC Name: (3E,5E)-3,5-bis[(4-ethoxyphenyl)methylidene]-1-methylpiperidin-1-ium-4-one Traditional Name: (3E,5E)-3,5-bis(4-ethoxybenzylidene)-1-methyl-piperidin-1-ium-4-one Formula: C24H28NO3+ MolecularWeight: 378.48402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C2C[NH+](CC(=CC3=CC=C(C=C3)OCC)C2=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)OCC)/C[NH+](C2)C

InChI

InChI=1S/C24H27NO3/c1-4-27-22-10-6-18(7-11-22)14-20-16-25(3)17-21(24(20)26)15-19-8-12-23(13-9-19)28-5-2/h6-15H,4-5,16-17H2,1-3H3/p+1/b20-14+,21-15+