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

Systemtic Name: N-butyl-2-[4-[2-[2-(phenylmethyl)phenoxy]ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-butyl-acetamide CAS Name: N-butyl-2-[4-[1-oxo-2-[2-(phenylmethyl)phenoxy]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-butyl-acetamide Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=CC=C2CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=CC=C2CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3/c1-2-3-13-26-24(29)19-27-14-16-28(17-15-27)25(30)20-31-23-12-8-7-11-22(23)18-21-9-5-4-6-10-21/h4-12H,2-3,13-20H2,1H3,(H,26,29)/p+1