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

Systemtic Name: (3E,5E)-3,5-bis[(3-methoxyphenyl)methylidene]-1-(phenylmethyl)piperidin-1-ium-4-one Openeye Name: (3E,5E)-1-benzyl-3,5-bis[(3-methoxyphenyl)methylene]piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[(3-methoxyphenyl)methylidene]-1-(phenylmethyl)-4-piperidin-1-iumone IUPAC Name: (3E,5E)-1-benzyl-3,5-bis[(3-methoxyphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3E,5E)-1-benzyl-3,5-bis(m-anisylidene)piperidin-1-ium-4-one Formula: C28H28NO3+ MolecularWeight: 426.52682

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C2C[NH+](CC(=CC3=CC(=CC=C3)OC)C2=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)/C=C\2/C(=O)/C(=C/C3=CC(=CC=C3)OC)/C[NH+](C2)CC4=CC=CC=C4

InChI

InChI=1S/C28H27NO3/c1-31-26-12-6-10-22(16-26)14-24-19-29(18-21-8-4-3-5-9-21)20-25(28(24)30)15-23-11-7-13-27(17-23)32-2/h3-17H,18-20H2,1-2H3/p+1/b24-14+,25-15+