1,3-benzodioxol-5-yl-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-yl]methanone Formula: C20H22ClN2O4+ MolecularWeight: 389.85268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-12-11-22-7-9-23(10-8-22)20(24)15-1-6-18-19(13-15)27-14-26-18/h1-6,13H,7-12,14H2/p+1