(2-chloranyl-6-fluoranyl-phenyl)methyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[[2-(4-ethanoylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(2-chloro-6-fluoro-phenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl-[(2-chloro-6-fluorophenyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl-[(2-chloro-6-fluorophenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)pyridin-1-ium-3-yl]methyl-(2-chloro-6-fluoro-benzyl)ammonium Formula: C19H24ClFN4O+2 MolecularWeight: 378.871463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=C(C=CC=C3Cl)F

InChI

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