[(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(2-methoxy-2-oxidanylidene-ethyl)azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-oxidanyl-phenyl)propyl]-(2-methoxy-2-oxidanylidene-ethyl)azanium Openeye Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(2-methoxy-2-oxo-ethyl)ammonium CAS Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(2-methoxy-2-oxoethyl)ammonium IUPAC Name: [(1S)-1-(5-bromo-2-hydroxyphenyl)propyl]-(2-methoxy-2-oxoethyl)azanium Traditional Name: [(1S)-1-(5-bromo-2-hydroxy-phenyl)propyl]-(2-keto-2-methoxy-ethyl)ammonium Formula: C12H17BrNO3+ MolecularWeight: 303.17228

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=CC(=C1)Br)O)[NH2+]CC(=O)OC

Isomeric SMILES

CC[C@@H](C1=C(C=CC(=C1)Br)O)[NH2+]CC(=O)OC

InChI

InChI=1S/C12H16BrNO3/c1-3-10(14-7-12(16)17-2)9-6-8(13)4-5-11(9)15/h4-6,10,14-15H,3,7H2,1-2H3/p+1/t10-/m0/s1