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

Systemtic Name: (3E,5E)-3,5-bis[(4-methylsulfanylphenyl)methylidene]-1-(phenylmethyl)piperidin-1-ium-4-one Openeye Name: (3E,5E)-1-benzyl-3,5-bis[(4-methylsulfanylphenyl)methylene]piperidin-1-ium-4-one CAS Name: (3E,5E)-3,5-bis[[4-(methylthio)phenyl]methylidene]-1-(phenylmethyl)-4-piperidin-1-iumone IUPAC Name: (3E,5E)-1-benzyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3E,5E)-1-benzyl-3,5-bis[4-(methylthio)benzylidene]piperidin-1-ium-4-one Formula: C28H28NOS2+ MolecularWeight: 458.65802

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C2C[NH+](CC(=CC3=CC=C(C=C3)SC)C2=O)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C\2/C(=O)/C(=C/C3=CC=C(C=C3)SC)/C[NH+](C2)CC4=CC=CC=C4

InChI

InChI=1S/C28H27NOS2/c1-31-26-12-8-21(9-13-26)16-24-19-29(18-23-6-4-3-5-7-23)20-25(28(24)30)17-22-10-14-27(32-2)15-11-22/h3-17H,18-20H2,1-2H3/p+1/b24-16+,25-17+