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

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]propionamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCC2CCC[NH+](C2)CC3=CN=C(N=C3)SC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3S/c1-28-19-9-18(10-20(11-19)29-2)25-21(27)7-6-16-5-4-8-26(14-16)15-17-12-23-22(30-3)24-13-17/h9-13,16H,4-8,14-15H2,1-3H3,(H,25,27)/p+1/t16-/m1/s1