(4-chloranyl-3-fluoranyl-phenyl)methyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]azanium

Systemtic Name: (4-chloranyl-3-fluoranyl-phenyl)methyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-3-yl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-3-pyridyl]methyl-[(4-chloro-3-fluoro-phenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridinyl]methyl-[(4-chloro-3-fluorophenyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-3-yl]methyl-[(4-chloro-3-fluorophenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)-3-pyridyl]methyl-(4-chloro-3-fluoro-benzyl)ammonium Formula: C19H23ClFN4O+ MolecularWeight: 377.863523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)C[NH2+]CC3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=N2)C[NH2+]CC3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C19H22ClFN4O/c1-14(26)24-7-9-25(10-8-24)19-16(3-2-6-23-19)13-22-12-15-4-5-17(20)18(21)11-15/h2-6,11,22H,7-10,12-13H2,1H3/p+1