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

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(3-thenyl)piperidin-1-ium-3-yl]propionamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CC3=CSC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CC3=CSC=C3)OC

InChI

InChI=1S/C22H30N2O3S/c1-26-20-7-6-19(21(12-20)27-2)13-23-22(25)8-5-17-4-3-10-24(14-17)15-18-9-11-28-16-18/h6-7,9,11-12,16-17H,3-5,8,10,13-15H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1