tert-butyl-[(2S)-1-[[4-methyl-2-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: tert-butyl-[(2S)-1-[[4-methyl-2-(phenylcarbonyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(2-benzoyl-4-methyl-anilino)-1-methyl-2-oxo-ethyl]-tert-butyl-ammonium CAS Name: [(2S)-1-(2-benzoyl-4-methylanilino)-1-oxopropan-2-yl]-tert-butylammonium IUPAC Name: [(2S)-1-(2-benzoyl-4-methylanilino)-1-oxopropan-2-yl]-tert-butylazanium Traditional Name: [(1S)-2-(2-benzoyl-4-methyl-anilino)-2-keto-1-methyl-ethyl]-tert-butyl-ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)[NH2+]C(C)(C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)[NH2+]C(C)(C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O2/c1-14-11-12-18(22-20(25)15(2)23-21(3,4)5)17(13-14)19(24)16-9-7-6-8-10-16/h6-13,15,23H,1-5H3,(H,22,25)/p+1/t15-/m0/s1