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

Systemtic Name: 2-[4-[3-(2-hydroxyethylsulfanyl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[3-(2-hydroxyethylsulfanyl)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[3-(2-hydroxyethylthio)-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[3-(2-hydroxyethylsulfanyl)-4-nitrophenyl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[3-(2-hydroxyethylthio)-4-nitro-phenyl]piperazin-1-ium-1-yl]ethanol Formula: C14H22N3O4S+ MolecularWeight: 328.40718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O4S/c18-8-7-15-3-5-16(6-4-15)12-1-2-13(17(20)21)14(11-12)22-10-9-19/h1-2,11,18-19H,3-10H2/p+1