[(2S)-1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-(4-bromo-2,6-dimethylanilino)-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-bromo-2,6-dimethylanilino)-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(4-bromo-2,6-dimethyl-phenyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C14H22BrN2O+ MolecularWeight: 314.24128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C(CC(C)C)[NH3+])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)[C@H](CC(C)C)[NH3+])C)Br

InChI

InChI=1S/C14H21BrN2O/c1-8(2)5-12(16)14(18)17-13-9(3)6-11(15)7-10(13)4/h6-8,12H,5,16H2,1-4H3,(H,17,18)/p+1/t12-/m0/s1