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

Systemtic Name: (3E,5E)-1-methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one Openeye Name: (3E,5E)-1-methyl-3,5-bis[(4-methylsulfanylphenyl)methylene]piperidin-1-ium-4-one CAS Name: (3E,5E)-1-methyl-3,5-bis[[4-(methylthio)phenyl]methylidene]-4-piperidin-1-iumone IUPAC Name: (3E,5E)-1-methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one Traditional Name: (3E,5E)-1-methyl-3,5-bis[4-(methylthio)benzylidene]piperidin-1-ium-4-one Formula: C22H24NOS2+ MolecularWeight: 382.56206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC(=CC2=CC=C(C=C2)SC)C(=O)C(=CC3=CC=C(C=C3)SC)C1

Isomeric SMILES

C[NH+]1C/C(=C\C2=CC=C(C=C2)SC)/C(=O)/C(=C/C3=CC=C(C=C3)SC)/C1

InChI

InChI=1S/C22H23NOS2/c1-23-14-18(12-16-4-8-20(25-2)9-5-16)22(24)19(15-23)13-17-6-10-21(26-3)11-7-17/h4-13H,14-15H2,1-3H3/p+1/b18-12+,19-13+