N-butyl-2-[4-[2-(4-propanoylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-butyl-2-[4-[2-(4-propanoylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-butyl-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-butyl-2-[4-[1-oxo-2-[4-(1-oxopropyl)phenoxy]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-butyl-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-butyl-2-[4-[2-(4-propionylphenoxy)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)CC

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)C(=O)CC

InChI

InChI=1S/C21H31N3O4/c1-3-5-10-22-20(26)15-23-11-13-24(14-12-23)21(27)16-28-18-8-6-17(7-9-18)19(25)4-2/h6-9H,3-5,10-16H2,1-2H3,(H,22,26)/p+1