[(1S)-2-[[(2R)-2-bromanyl-3-methyl-butanoyl]amino]-1-phenyl-ethyl]-diethyl-azanium

Systemtic Name: [(1S)-2-[[(2R)-2-bromanyl-3-methyl-butanoyl]amino]-1-phenyl-ethyl]-diethyl-azanium Openeye Name: [(1S)-2-[[(2R)-2-bromo-3-methyl-butanoyl]amino]-1-phenyl-ethyl]-diethyl-ammonium CAS Name: [(1S)-2-[[(2R)-2-bromo-3-methyl-1-oxobutyl]amino]-1-phenylethyl]-diethylammonium IUPAC Name: [(1S)-2-[[(2R)-2-bromo-3-methylbutanoyl]amino]-1-phenylethyl]-diethylazanium Traditional Name: [(1S)-2-[[(2R)-2-bromo-3-methyl-butanoyl]amino]-1-phenyl-ethyl]-diethyl-ammonium Formula: C17H28BrN2O+ MolecularWeight: 356.32102

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C(C(C)C)Br)C1=CC=CC=C1

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)[C@@H](C(C)C)Br)C1=CC=CC=C1

InChI

InChI=1S/C17H27BrN2O/c1-5-20(6-2)15(14-10-8-7-9-11-14)12-19-17(21)16(18)13(3)4/h7-11,13,15-16H,5-6,12H2,1-4H3,(H,19,21)/p+1/t15-,16-/m1/s1