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

Systemtic Name: (4-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]azanium Openeye Name: (4-methoxyphenyl)methyl-[(5-pyrimidin-2-ylsulfanyl-2-furyl)methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium CAS Name: (4-methoxyphenyl)methyl-[[(2R)-2-oxolanyl]methyl]-[[5-(2-pyrimidinylthio)-2-furanyl]methyl]ammonium IUPAC Name: (4-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]azanium Traditional Name: p-anisyl-[[5-(2-pyrimidylthio)-2-furyl]methyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]ammonium Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC2CCCO2)CC3=CC=C(O3)SC4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](C[C@H]2CCCO2)CC3=CC=C(O3)SC4=NC=CC=N4

InChI

InChI=1S/C22H25N3O3S/c1-26-18-7-5-17(6-8-18)14-25(15-19-4-2-13-27-19)16-20-9-10-21(28-20)29-22-23-11-3-12-24-22/h3,5-12,19H,2,4,13-16H2,1H3/p+1/t19-/m1/s1