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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C[NH+]2CCNC(=O)C2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C[NH+]2CCNC(=O)C2

InChI

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