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

Systemtic Name: 1-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazin-4-ium Openeye Name: 1-[4-nitro-3-(2-pyridylsulfanyl)phenyl]piperazin-4-ium CAS Name: 1-[4-nitro-3-(2-pyridinylthio)phenyl]piperazin-4-ium IUPAC Name: 1-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-4-ium Traditional Name: 1-[4-nitro-3-(2-pyridylthio)phenyl]piperazin-4-ium Formula: C15H17N4O2S+ MolecularWeight: 317.38608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])SC3=CC=CC=N3

InChI

InChI=1S/C15H16N4O2S/c20-19(21)13-5-4-12(18-9-7-16-8-10-18)11-14(13)22-15-3-1-2-6-17-15/h1-6,11,16H,7-10H2/p+1