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

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-3-24-15-6-5-14(11-16(15)25-4-2)7-8-19-17(22)12-21-10-9-20-18(23)13-21/h5-6,11H,3-4,7-10,12-13H2,1-2H3,(H,19,22)(H,20,23)/p+1