[(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium

Systemtic Name: [(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Openeye Name: [(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]ammonium CAS Name: [(1R)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]-[[2-(methylthio)-5-pyrimidinyl]methyl]ammonium IUPAC Name: [(1R)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Traditional Name: [(1R)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-[[2-(methylthio)pyrimidin-5-yl]methyl]ammonium Formula: C18H22N5S+ MolecularWeight: 340.46578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]CC3=CN=C(N=C3)SC

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@@H](C)[NH2+]CC3=CN=C(N=C3)SC

InChI

InChI=1S/C18H21N5S/c1-13(19-9-15-10-20-18(24-3)21-11-15)17-12-22-23(14(17)2)16-7-5-4-6-8-16/h4-8,10-13,19H,9H2,1-3H3/p+1/t13-/m1/s1