1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepan-4-ium CAS Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepan-4-ium Formula: C23H28FN4O+ MolecularWeight: 395.493023

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4F

Isomeric SMILES

C[NH+]1CCCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4F

InChI

InChI=1S/C23H27FN4O/c1-26-12-5-13-27(15-14-26)16-19-17-28(22-7-4-3-6-21(22)24)25-23(19)18-8-10-20(29-2)11-9-18/h3-4,6-11,17H,5,12-16H2,1-2H3/p+1