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

Systemtic Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2,4-dimethoxybenzyl)-3-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]propionamide Formula: C23H35N4O3+ MolecularWeight: 415.549

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNC(=O)CCC2CCC[NH+](C2)CCCN3C=CC=N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CNC(=O)CC[C@H]2CCC[NH+](C2)CCCN3C=CC=N3)OC

InChI

InChI=1S/C23H34N4O3/c1-29-21-9-8-20(22(16-21)30-2)17-24-23(28)10-7-19-6-3-12-26(18-19)13-5-15-27-14-4-11-25-27/h4,8-9,11,14,16,19H,3,5-7,10,12-13,15,17-18H2,1-2H3,(H,24,28)/p+1/t19-/m1/s1