N-(2,4-dimethoxyphenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,4-dimethoxyphenyl)-3-[1-[[2-(methylthio)-5-pyrimidinyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-[1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C22H31N4O3S+ MolecularWeight: 431.57154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CN=C(N=C3)SC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CN=C(N=C3)SC)OC

InChI

InChI=1S/C22H30N4O3S/c1-28-18-5-6-19(20(12-18)29-2)25-21(27)7-4-16-8-10-26(11-9-16)15-17-13-23-22(30-3)24-14-17/h5-6,12-14,16H,4,7-11,15H2,1-3H3,(H,25,27)/p+1