2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-fluorophenyl)phenol

Systemtic Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-fluorophenyl)phenol Openeye Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-fluorophenyl)phenol CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-4-(4-fluorophenyl)phenol IUPAC Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-fluorophenyl)phenol Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-4-(4-fluorophenyl)phenol Formula: C25H28FN2O+ MolecularWeight: 391.501023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C4=CC=C(C=C4)F)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=C(C=CC(=C3)C4=CC=C(C=C4)F)O)C

InChI

InChI=1S/C25H27FN2O/c1-18-4-3-5-24(19(18)2)28-14-12-27(13-15-28)17-22-16-21(8-11-25(22)29)20-6-9-23(26)10-7-20/h3-11,16,29H,12-15,17H2,1-2H3/p+1