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

Systemtic Name: N-(3,4-diethoxyphenyl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCNC(=O)C2)OCC

InChI

InChI=1S/C16H23N3O4/c1-3-22-13-6-5-12(9-14(13)23-4-2)18-16(21)11-19-8-7-17-15(20)10-19/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,17,20)(H,18,21)/p+1