2-[4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(4-nitro-3-pyridin-2-ylsulfanyl-phenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-nitro-3-(2-pyridylsulfanyl)phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-nitro-3-(2-pyridinylthio)phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(4-nitro-3-pyridin-2-ylsulfanylphenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-nitro-3-(2-pyridylthio)phenyl]piperazin-1-ium-1-yl]ethanol Formula: C17H21N4O3S+ MolecularWeight: 361.43864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O3S/c22-12-11-19-7-9-20(10-8-19)14-4-5-15(21(23)24)16(13-14)25-17-3-1-2-6-18-17/h1-6,13,22H,7-12H2/p+1