(E)-3-(4-methylsulfanylphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-methylsulfanylphenyl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)phenyl]-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzylpiperazin-4-ium-1-yl)-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C21H25N2OS+ MolecularWeight: 353.501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C/C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2OS/c1-25-20-10-7-18(8-11-20)9-12-21(24)23-15-13-22(14-16-23)17-19-5-3-2-4-6-19/h2-12H,13-17H2,1H3/p+1/b12-9+