1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-hydroxyphenyl)propan-1-one

Systemtic Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-hydroxyphenyl)propan-1-one Openeye Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-hydroxyphenyl)propan-1-one CAS Name: 1-[4-[(4-ethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(2-hydroxyphenyl)-1-propanone IUPAC Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-hydroxyphenyl)propan-1-one Traditional Name: 1-[4-(4-ethoxybenzyl)piperazin-4-ium-1-yl]-3-(2-hydroxyphenyl)propan-1-one Formula: C22H29N2O3+ MolecularWeight: 369.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3O

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CC=C3O

InChI

InChI=1S/C22H28N2O3/c1-2-27-20-10-7-18(8-11-20)17-23-13-15-24(16-14-23)22(26)12-9-19-5-3-4-6-21(19)25/h3-8,10-11,25H,2,9,12-17H2,1H3/p+1