2-[4-[2-(3-chloranylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(3-chloranylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[2-(3-chlorophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C22H27ClN3O3+ MolecularWeight: 416.92108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC(=CC=C3)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O3/c1-2-17-6-3-4-9-20(17)24-21(27)15-25-10-12-26(13-11-25)22(28)16-29-19-8-5-7-18(23)14-19/h3-9,14H,2,10-13,15-16H2,1H3,(H,24,27)/p+1