2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-fluorophenyl)phenol

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-fluorophenyl)phenol Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-fluorophenyl)phenol CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-(4-fluorophenyl)phenol IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-fluorophenyl)phenol Traditional Name: 4-(4-fluorophenyl)-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]phenol Formula: C25H28FN2O2+ MolecularWeight: 407.500423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)C4=CC=C(C=C4)F)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=C(C=CC(=C3)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C25H27FN2O2/c1-2-30-25-6-4-3-5-23(25)28-15-13-27(14-16-28)18-21-17-20(9-12-24(21)29)19-7-10-22(26)11-8-19/h3-12,17,29H,2,13-16,18H2,1H3/p+1