3,5-dimethoxy-N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide

Systemtic Name: 3,5-dimethoxy-N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Openeye Name: 3,5-dimethoxy-N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide CAS Name: 3,5-dimethoxy-N-[[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]benzamide Traditional Name: 3,5-dimethoxy-N-[[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methyl]benzamide Formula: C21H29N4O3S+ MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC2CCC[NH+](C2)CC3=CN=C(N=C3)SC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NC[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)SC)OC

InChI

InChI=1S/C21H28N4O3S/c1-27-18-7-17(8-19(9-18)28-2)20(26)22-10-15-5-4-6-25(13-15)14-16-11-23-21(29-3)24-12-16/h7-9,11-12,15H,4-6,10,13-14H2,1-3H3,(H,22,26)/p+1/t15-/m1/s1