3-[1-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-propanoic acid

Systemtic Name: 3-[1-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-propanoic acid Openeye Name: 3-[1-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-propanoic acid CAS Name: 3-[1-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-phenylpropanoic acid IUPAC Name: 3-[1-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenylpropanoic acid Traditional Name: 3-[1-(4-methoxyphenyl)piperazin-1-ium-1-yl]-2-phenyl-propionic acid Formula: C20H25N2O3+ MolecularWeight: 341.4241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)[N+]2(CCNCC2)CC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)[N+]2(CCNCC2)CC(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H24N2O3/c1-25-18-9-7-17(8-10-18)22(13-11-21-12-14-22)15-19(20(23)24)16-5-3-2-4-6-16/h2-10,19,21H,11-15H2,1H3/p+1