[(1R)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [(1R)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(1R)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(1R)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(1R)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]-[4-(methylthio)benzyl]ammonium Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)[NH2+]CC2=CC=C(C=C2)SC)C3=CC=NC=C3

Isomeric SMILES

CC1=NC(=NC=C1[C@@H](C)[NH2+]CC2=CC=C(C=C2)SC)C3=CC=NC=C3

InChI

InChI=1S/C20H22N4S/c1-14(22-12-16-4-6-18(25-3)7-5-16)19-13-23-20(24-15(19)2)17-8-10-21-11-9-17/h4-11,13-14,22H,12H2,1-3H3/p+1/t14-/m1/s1