N-butyl-2-[4-[2-(3,4,5-trimethoxyphenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-(3,4,5-trimethoxyphenyl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[1-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(3,4,5-trimethoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H34N3O5+ MolecularWeight: 408.51176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)CC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C21H33N3O5/c1-5-6-7-22-19(25)15-23-8-10-24(11-9-23)20(26)14-16-12-17(27-2)21(29-4)18(13-16)28-3/h12-13H,5-11,14-15H2,1-4H3,(H,22,25)/p+1