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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC3=CC(=C(C(=C3)C)Cl)C

InChI

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