4-[4-[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[4-[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[4-[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine CAS Name: 4-[4-[4-ethyl-5-[2-(1-piperidin-1-iumyl)ethylthio]-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[4-[4-ethyl-5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[4-[4-ethyl-5-(2-piperidin-1-ium-1-ylethylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C21H32N5O3S2+ MolecularWeight: 466.64048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCN1C(=NN=C1SCC[NH+]2CCCCC2)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H31N5O3S2/c1-2-26-20(22-23-21(26)30-17-14-24-10-4-3-5-11-24)18-6-8-19(9-7-18)31(27,28)25-12-15-29-16-13-25/h6-9H,2-5,10-17H2,1H3/p+1