(4,5-dimethyl-2-oxidanyl-phenyl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4,5-dimethyl-2-oxidanyl-phenyl)methyl-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-[(2-hydroxy-4,5-dimethyl-phenyl)methyl]ammonium CAS Name: ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(2-hydroxy-4,5-dimethylphenyl)methyl]ammonium IUPAC Name: ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[(2-hydroxy-4,5-dimethylphenyl)methyl]azanium Traditional Name: ethyl-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]-(2-hydroxy-4,5-dimethyl-benzyl)ammonium Formula: C20H26FN2O2+ MolecularWeight: 345.431043

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=C(C(=C1)C)C)O)CC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC[NH+](CC1=C(C=C(C(=C1)C)C)O)CC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H25FN2O2/c1-4-23(12-17-9-14(2)15(3)10-19(17)24)13-20(25)22-11-16-5-7-18(21)8-6-16/h5-10,24H,4,11-13H2,1-3H3,(H,22,25)/p+1