methyl 4-[(2-chloranyl-6-fluoranyl-phenyl)-ethanoyl-amino]-1-ethanoyl-piperidin-1-ium-1-carboxylate

Systemtic Name: methyl 4-[(2-chloranyl-6-fluoranyl-phenyl)-ethanoyl-amino]-1-ethanoyl-piperidin-1-ium-1-carboxylate Openeye Name: methyl 1-acetyl-4-(N-acetyl-2-chloro-6-fluoro-anilino)piperidin-1-ium-1-carboxylate CAS Name: 1-acetyl-4-(N-acetyl-2-chloro-6-fluoroanilino)-1-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-acetyl-4-(N-acetyl-2-chloro-6-fluoroanilino)piperidin-1-ium-1-carboxylate Traditional Name: 1-acetyl-4-(N-acetyl-2-chloro-6-fluoro-anilino)piperidin-1-ium-1-carboxylic acid methyl ester Formula: C17H21ClFN2O4+ MolecularWeight: 371.811043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1CC[N+](CC1)(C(=O)C)C(=O)OC)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(=O)N(C1CC[N+](CC1)(C(=O)C)C(=O)OC)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H21ClFN2O4/c1-11(22)20(16-14(18)5-4-6-15(16)19)13-7-9-21(10-8-13,12(2)23)17(24)25-3/h4-6,13H,7-10H2,1-3H3/q+1