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

Systemtic Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-(2,4-dimethylphenoxy)ethyl]-2-(3-ketopiperazin-1-ium-1-yl)acetamide Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC(=O)C[NH+]2CCNC(=O)C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC(=O)C[NH+]2CCNC(=O)C2)C

InChI

InChI=1S/C16H23N3O3/c1-12-3-4-14(13(2)9-12)22-8-6-18-16(21)11-19-7-5-17-15(20)10-19/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,20)(H,18,21)/p+1