2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-[2-(3-methylphenoxy)ethyl]ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=C(C=CC(=C3)Cl)C

InChI

InChI=1S/C22H28ClN3O2/c1-17-4-3-5-20(14-17)28-13-8-24-22(27)16-25-9-11-26(12-10-25)21-15-19(23)7-6-18(21)2/h3-7,14-15H,8-13,16H2,1-2H3,(H,24,27)/p+1