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

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-27-20-12-19(13-21(14-20)28-2)24-22(26)6-5-17-4-3-11-25(15-17)16-18-7-9-23-10-8-18/h7-10,12-14,17H,3-6,11,15-16H2,1-2H3,(H,24,26)/p+1/t17-/m1/s1