1-[2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium

Systemtic Name: 1-[2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Openeye Name: 1-[2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium CAS Name: 1-[2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium IUPAC Name: 1-[2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]piperidin-1-ium Traditional Name: 1-[2-[[4-ethyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]thio]ethyl]piperidin-1-ium Formula: C17H24N5O2S+ MolecularWeight: 362.46976

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O2S/c1-2-21-16(14-6-8-15(9-7-14)22(23)24)18-19-17(21)25-13-12-20-10-4-3-5-11-20/h6-9H,2-5,10-13H2,1H3/p+1