2-[4-[2-(4-phenylmethoxyphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[2-(4-phenylmethoxyphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[2-(4-benzyloxyphenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[1-oxo-2-(4-phenylmethoxyphenoxy)ethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[2-(4-benzoxyphenoxy)acetyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4/c1-19(2)25-23(28)16-26-12-14-27(15-13-26)24(29)18-31-22-10-8-21(9-11-22)30-17-20-6-4-3-5-7-20/h3-11,19H,12-18H2,1-2H3,(H,25,28)/p+1