[4-[(2-chlorophenyl)methyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]methanol

Systemtic Name: [4-[(2-chlorophenyl)methyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]methanol Openeye Name: [4-[(2-chlorophenyl)methyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]methanol CAS Name: [4-[(2-chlorophenyl)methyl]-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]methanol IUPAC Name: [4-[(2-chlorophenyl)methyl]-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]methanol Traditional Name: [4-(2-chlorobenzyl)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]methanol Formula: C19H25ClN3OS+ MolecularWeight: 378.9393

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3Cl)CO

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC(CC2)(CC3=CC=CC=C3Cl)CO

InChI

InChI=1S/C19H24ClN3OS/c1-25-18-21-11-15(12-22-18)13-23-8-6-19(14-24,7-9-23)10-16-4-2-3-5-17(16)20/h2-5,11-12,24H,6-10,13-14H2,1H3/p+1