3-[4-[2-(4-methoxyphenoxy)ethanoyl]piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-[2-(4-methoxyphenoxy)ethanoyl]piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[2-(4-methoxyphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-ium-1-yl]propionate Formula: C16H22N2O5 MolecularWeight: 322.35628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CCC(=O)[O-]

InChI

InChI=1S/C16H22N2O5/c1-22-13-2-4-14(5-3-13)23-12-15(19)18-10-8-17(9-11-18)7-6-16(20)21/h2-5H,6-12H2,1H3,(H,20,21)