[(1S)-2-[(4-tert-butylphenyl)carbonylamino]-1-(4-fluorophenyl)ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(4-tert-butylphenyl)carbonylamino]-1-(4-fluorophenyl)ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(4-tert-butylbenzoyl)amino]-1-(4-fluorophenyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-(4-fluorophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(4-tert-butylbenzoyl)amino]-1-(4-fluorophenyl)ethyl]-dimethylazanium Traditional Name: [(1S)-2-[(4-tert-butylbenzoyl)amino]-1-(4-fluorophenyl)ethyl]-dimethyl-ammonium Formula: C21H28FN2O+ MolecularWeight: 343.458223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)F)[NH+](C)C

InChI

InChI=1S/C21H27FN2O/c1-21(2,3)17-10-6-16(7-11-17)20(25)23-14-19(24(4)5)15-8-12-18(22)13-9-15/h6-13,19H,14H2,1-5H3,(H,23,25)/p+1/t19-/m1/s1