1-methyl-4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazin-1-ium

Systemtic Name: 1-methyl-4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazin-1-ium Openeye Name: 1-methyl-4-[4-nitro-3-(2-pyridylsulfanyl)phenyl]piperazin-1-ium CAS Name: 1-methyl-4-[4-nitro-3-(2-pyridinylthio)phenyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-ium Traditional Name: 1-methyl-4-[4-nitro-3-(2-pyridylthio)phenyl]piperazin-1-ium Formula: C16H19N4O2S+ MolecularWeight: 331.41266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3

InChI

InChI=1S/C16H18N4O2S/c1-18-8-10-19(11-9-18)13-5-6-14(20(21)22)15(12-13)23-16-4-2-3-7-17-16/h2-7,12H,8-11H2,1H3/p+1