2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(3-oxo-1-piperazin-1-iumyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(3-oxopiperazin-1-ium-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-(2,4,5-trimethoxybenzyl)acetamide Formula: C16H24N3O5+ MolecularWeight: 338.37886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCNC(=O)C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1CNC(=O)C[NH+]2CCNC(=O)C2)OC)OC

InChI

InChI=1S/C16H23N3O5/c1-22-12-7-14(24-3)13(23-2)6-11(12)8-18-16(21)10-19-5-4-17-15(20)9-19/h6-7H,4-5,8-10H2,1-3H3,(H,17,20)(H,18,21)/p+1