(4-methoxyphenyl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Openeye Name: (4-methoxyphenyl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[[2-(methylthio)-5-pyrimidinyl]methyl]-[[(2R)-2-oxolanyl]methyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-[[(2R)-oxolan-2-yl]methyl]azanium Traditional Name: [2-(methylthio)pyrimidin-5-yl]methyl-p-anisyl-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC2CCCO2)CC3=CN=C(N=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](C[C@H]2CCCO2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H25N3O2S/c1-23-17-7-5-15(6-8-17)12-22(14-18-4-3-9-24-18)13-16-10-20-19(25-2)21-11-16/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3/p+1/t18-/m1/s1