2-(4-chloranylphenoxy)-1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(4-chlorophenoxy)-1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(4-chlorophenoxy)-1-[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(4-chlorophenoxy)-1-[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(4-chlorophenoxy)-1-(4-m-anisylpiperazin-4-ium-1-yl)ethanone Formula: C20H24ClN2O3+ MolecularWeight: 375.86916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O3/c1-25-19-4-2-3-16(13-19)14-22-9-11-23(12-10-22)20(24)15-26-18-7-5-17(21)6-8-18/h2-8,13H,9-12,14-15H2,1H3/p+1