[(2S,3S)-1-[(4-bromanyl-2,6-dimethyl-phenyl)amino]-3-methyl-1-oxidanylidene-pentan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=C(C=C1C)Br)C)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=C(C=C(C=C1C)Br)C)[NH3+]

InChI

InChI=1S/C14H21BrN2O/c1-5-8(2)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/t8-,12-/m0/s1