4-[4-methyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenethyl-piperidin-1-ium

Systemtic Name: 4-[4-methyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenethyl-piperidin-1-ium Openeye Name: 4-[4-methyl-5-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenethyl-piperidin-1-ium CAS Name: 4-[4-methyl-5-[[(2R)-2-oxolanyl]methylthio]-1,2,4-triazol-3-yl]-1-phenethylpiperidin-1-ium IUPAC Name: 4-[4-methyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]-1-phenethylpiperidin-1-ium Traditional Name: 4-[4-methyl-5-[[(2R)-tetrahydrofuran-2-yl]methylthio]-1,2,4-triazol-3-yl]-1-phenethyl-piperidin-1-ium Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2CCCO2)C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SC[C@H]2CCCO2)C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H30N4OS/c1-24-20(22-23-21(24)27-16-19-8-5-15-26-19)18-10-13-25(14-11-18)12-9-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3/p+1/t19-/m1/s1