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

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(4-thianyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(thian-4-yl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-tetrahydrothiopyran-4-ylpiperidin-1-ium-3-yl]propionamide Formula: C22H35N2O3S+ MolecularWeight: 407.5899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O3S/c1-26-20-7-6-18(21(14-20)27-2)15-23-22(25)8-5-17-4-3-11-24(16-17)19-9-12-28-13-10-19/h6-7,14,17,19H,3-5,8-13,15-16H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1