[5-bromanyl-2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [5-bromanyl-2-[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [5-bromo-2-[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [5-bromo-2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [5-bromo-2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]phenyl]methylazanium Traditional Name: [5-bromo-2-[2-keto-2-[[(1S)-1-methylpropyl]amino]ethoxy]benzyl]ammonium Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC1=C(C=C(C=C1)Br)C[NH3+]

Isomeric SMILES

CC[C@H](C)NC(=O)COC1=C(C=C(C=C1)Br)C[NH3+]

InChI

InChI=1S/C13H19BrN2O2/c1-3-9(2)16-13(17)8-18-12-5-4-11(14)6-10(12)7-15/h4-6,9H,3,7-8,15H2,1-2H3,(H,16,17)/p+1/t9-/m0/s1