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

Systemtic Name: 5-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]amino]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]amino]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-yl]amino]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-yl]amino]-5-keto-3,3-dimethyl-valerate Formula: C19H26ClFN2O3 MolecularWeight: 384.872743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)NC1CC[NH+](CC1)CC2=C(C=CC=C2Cl)F)CC(=O)[O-]

InChI

InChI=1S/C19H26ClFN2O3/c1-19(2,11-18(25)26)10-17(24)22-13-6-8-23(9-7-13)12-14-15(20)4-3-5-16(14)21/h3-5,13H,6-12H2,1-2H3,(H,22,24)(H,25,26)