(4-tert-butylphenyl)methyl-[(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[(2R)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[(1R)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[(1R)-2-(2-fluoroanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H28FN2O+ MolecularWeight: 343.458223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1F)[NH+](C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H27FN2O/c1-15(20(25)23-19-9-7-6-8-18(19)22)24(5)14-16-10-12-17(13-11-16)21(2,3)4/h6-13,15H,14H2,1-5H3,(H,23,25)/p+1/t15-/m1/s1