N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-ethylphenoxy)ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-ethylphenoxy)ethanamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(3-ethylphenoxy)acetamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-ethylphenoxy)acetamide Formula: C22H29ClN3O2+ MolecularWeight: 402.93756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)CC

Isomeric SMILES

CCC1=CC(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)Cl)N3CC[NH+](CC3)CC

InChI

InChI=1S/C22H28ClN3O2/c1-3-17-6-5-7-19(14-17)28-16-22(27)24-20-15-18(23)8-9-21(20)26-12-10-25(4-2)11-13-26/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,24,27)/p+1