N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(4-thianyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propionamide Formula: C21H33N2O3S+ MolecularWeight: 393.56332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCC2CCC[NH+](C2)C3CCSCC3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CC[C@H]2CCC[NH+](C2)C3CCSCC3)OC

InChI

InChI=1S/C21H32N2O3S/c1-25-19-12-17(13-20(14-19)26-2)22-21(24)6-5-16-4-3-9-23(15-16)18-7-10-27-11-8-18/h12-14,16,18H,3-11,15H2,1-2H3,(H,22,24)/p+1/t16-/m1/s1