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

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-pyridinylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(3-pyridylmethyl)piperidin-1-ium-3-yl]propionamide Formula: C23H32N3O3+ MolecularWeight: 398.51848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3/c1-28-21-9-8-20(22(13-21)29-2)15-25-23(27)10-7-18-6-4-12-26(16-18)17-19-5-3-11-24-14-19/h3,5,8-9,11,13-14,18H,4,6-7,10,12,15-17H2,1-2H3,(H,25,27)/p+1/t18-/m1/s1