5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-5-keto-3,3-dimethyl-valerate Formula: C18H24ClFN2O3 MolecularWeight: 370.846163

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)N1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F)CC(=O)[O-]

InChI

InChI=1S/C18H24ClFN2O3/c1-18(2,11-17(24)25)10-16(23)22-8-6-21(7-9-22)12-13-14(19)4-3-5-15(13)20/h3-5H,6-12H2,1-2H3,(H,24,25)