(4-methoxyphenyl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: (4-methoxyphenyl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: (4-methoxyphenyl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: (4-methoxyphenyl)methyl-[[2-(methylthio)-5-pyrimidinyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: (4-methoxyphenyl)methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [2-(methylthio)pyrimidin-5-yl]methyl-p-anisyl-(4-pyridylmethyl)ammonium Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+](CC2=CC=NC=C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C20H22N4OS/c1-25-19-5-3-16(4-6-19)13-24(14-17-7-9-21-10-8-17)15-18-11-22-20(26-2)23-12-18/h3-12H,13-15H2,1-2H3/p+1