ethyl 4-[[5-(4-fluorophenyl)-2-oxidanyl-phenyl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[5-(4-fluorophenyl)-2-oxidanyl-phenyl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[5-(4-fluorophenyl)-2-hydroxy-phenyl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[5-(4-fluorophenyl)-2-hydroxyphenyl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-fluorophenyl)-2-hydroxyphenyl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[5-(4-fluorophenyl)-2-hydroxy-benzyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H24FN2O3+ MolecularWeight: 359.414563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)O

InChI

InChI=1S/C20H23FN2O3/c1-2-26-20(25)23-11-9-22(10-12-23)14-17-13-16(5-8-19(17)24)15-3-6-18(21)7-4-15/h3-8,13,24H,2,9-12,14H2,1H3/p+1