1-[(4-methylsulfanylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-[4-(methylthio)benzyl]-4-(4-nitrobenzyl)piperazin-4-ium Formula: C19H24N3O2S+ MolecularWeight: 358.47776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O2S/c1-25-19-8-4-17(5-9-19)15-21-12-10-20(11-13-21)14-16-2-6-18(7-3-16)22(23)24/h2-9H,10-15H2,1H3/p+1