N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-(2,4-dimethoxyphenyl)-3-[1-[(1R)-1-methyl-2-methylsulfanyl-ethyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1-(methylthio)propan-2-yl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(2,4-dimethoxyphenyl)-3-[1-[(1R)-1-methyl-2-(methylthio)ethyl]piperidin-1-ium-4-yl]propionamide Formula: C20H33N2O3S+ MolecularWeight: 381.55262

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)[NH+]1CCC(CC1)CCC(=O)NC2=C(C=C(C=C2)OC)OC

Isomeric SMILES

C[C@H](CSC)[NH+]1CCC(CC1)CCC(=O)NC2=C(C=C(C=C2)OC)OC

InChI

InChI=1S/C20H32N2O3S/c1-15(14-26-4)22-11-9-16(10-12-22)5-8-20(23)21-18-7-6-17(24-2)13-19(18)25-3/h6-7,13,15-16H,5,8-12,14H2,1-4H3,(H,21,23)/p+1/t15-/m1/s1