[2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium

Systemtic Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Openeye Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]ammonium CAS Name: [2-(dimethylamino)-3-pyridin-1-iumyl]methyl-[[2-(methylthio)-5-pyrimidinyl]methyl]ammonium IUPAC Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Traditional Name: [2-(dimethylamino)pyridin-1-ium-3-yl]methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]ammonium Formula: C14H21N5S+2 MolecularWeight: 291.41504

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)C[NH2+]CC2=CN=C(N=C2)SC

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)C[NH2+]CC2=CN=C(N=C2)SC

InChI

InChI=1S/C14H19N5S/c1-19(2)13-12(5-4-6-16-13)10-15-7-11-8-17-14(20-3)18-9-11/h4-6,8-9,15H,7,10H2,1-3H3/p+2