(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-(3-oxidanylidene-3-phenylazanyl-propyl)azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-(3-oxidanylidene-3-phenylazanyl-propyl)azanium Openeye Name: (3-anilino-3-oxo-propyl)-[(2-chloro-6-fluoro-phenyl)methyl]-methyl-ammonium CAS Name: (3-anilino-3-oxopropyl)-[(2-chloro-6-fluorophenyl)methyl]-methylammonium IUPAC Name: (3-anilino-3-oxopropyl)-[(2-chloro-6-fluorophenyl)methyl]-methylazanium Traditional Name: (3-anilino-3-keto-propyl)-(2-chloro-6-fluoro-benzyl)-methyl-ammonium Formula: C17H19ClFN2O+ MolecularWeight: 321.796963

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)NC1=CC=CC=C1)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

C[NH+](CCC(=O)NC1=CC=CC=C1)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H18ClFN2O/c1-21(12-14-15(18)8-5-9-16(14)19)11-10-17(22)20-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,20,22)/p+1