(3-fluorophenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: (3-fluorophenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: (3-fluorobenzyl)-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-methyl-ammonium Formula: C18H23FN5O+ MolecularWeight: 344.406523

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)F)CC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)F)CC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H22FN5O/c1-22(13-15-4-2-5-16(19)12-15)14-17(25)23-8-10-24(11-9-23)18-20-6-3-7-21-18/h2-7,12H,8-11,13-14H2,1H3/p+1