3-[[(2S)-2-bromanyl-3-methyl-butanoyl]amino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(2S)-2-bromanyl-3-methyl-butanoyl]amino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[(2S)-2-bromo-3-methyl-butanoyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[(2S)-2-bromo-3-methyl-1-oxobutyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(2S)-2-bromo-3-methylbutanoyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[(2S)-2-bromo-3-methyl-butanoyl]amino]propyl]-methyl-ammonium Formula: C16H26BrN2O+ MolecularWeight: 342.29444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCCC[NH+](C)CC1=CC=CC=C1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NCCC[NH+](C)CC1=CC=CC=C1)Br

InChI

InChI=1S/C16H25BrN2O/c1-13(2)15(17)16(20)18-10-7-11-19(3)12-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,20)/p+1/t15-/m0/s1