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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(3-ketopiperazin-1-ium-1-yl)-N-veratryl-acetamide Formula: C15H22N3O4+ MolecularWeight: 308.35288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCNC(=O)C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCNC(=O)C2)OC

InChI

InChI=1S/C15H21N3O4/c1-21-12-4-3-11(7-13(12)22-2)8-17-15(20)10-18-6-5-16-14(19)9-18/h3-4,7H,5-6,8-10H2,1-2H3,(H,16,19)(H,17,20)/p+1