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

Systemtic Name: 2-[4-[2-[2-(phenylmethyl)phenoxy]ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[1-oxo-2-[2-(phenylmethyl)phenoxy]ethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-(2-benzylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-2-12-25-23(28)18-26-13-15-27(16-14-26)24(29)19-30-22-11-7-6-10-21(22)17-20-8-4-3-5-9-20/h3-11H,2,12-19H2,1H3,(H,25,28)/p+1