3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-isoxazole CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(4-fluorophenyl)-4-methylisoxazole IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-fluorophenyl)-4-methyl-1,2-oxazole Traditional Name: 5-(4-fluorophenyl)-4-methyl-3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]isoxazole Formula: C23H27FN3O2+ MolecularWeight: 396.477783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NOC(=C3C)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NOC(=C3C)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2/c1-3-28-22-7-5-4-6-21(22)27-14-12-26(13-15-27)16-20-17(2)23(29-25-20)18-8-10-19(24)11-9-18/h4-11H,3,12-16H2,1-2H3/p+1