N-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: N-[3-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: N-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: N-[3-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]acetamide IUPAC Name: N-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: N-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]phenyl]acetamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)N2CC[NH+](CC2)CCOC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O3/c1-16(26)23-19-4-2-3-17(15-19)21(27)25-11-9-24(10-12-25)13-14-28-20-7-5-18(22)6-8-20/h2-8,15H,9-14H2,1H3,(H,23,26)/p+1