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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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