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

Systemtic Name: ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Openeye Name: ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]ammonium IUPAC Name: ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: ethyl-(3-fluoro-4-methoxy-benzyl)-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C20H27FN5O2+ MolecularWeight: 388.459083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26FN5O2/c1-3-24(14-16-5-6-18(28-2)17(21)13-16)15-19(27)25-9-11-26(12-10-25)20-22-7-4-8-23-20/h4-8,13H,3,9-12,14-15H2,1-2H3/p+1