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

Systemtic Name: 2-[4-[2-(2-phenylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[2-(2-phenylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[1-oxo-2-(2-phenylphenoxy)ethyl]-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-[2-(2-phenylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-[2-(2-phenylphenoxy)acetyl]piperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-2-12-24-22(27)17-25-13-15-26(16-14-25)23(28)18-29-21-11-7-6-10-20(21)19-8-4-3-5-9-19/h3-11H,2,12-18H2,1H3,(H,24,27)/p+1