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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4/c1-20-11-4-3-10(7-12(11)21-2)16-14(19)9-17-6-5-15-13(18)8-17/h3-4,7H,5-6,8-9H2,1-2H3,(H,15,18)(H,16,19)/p+1