[(1S)-1-(5-bromanyl-2-methoxy-phenyl)-2-ethyl-butyl]azanium

Systemtic Name: [(1S)-1-(5-bromanyl-2-methoxy-phenyl)-2-ethyl-butyl]azanium Openeye Name: [(1S)-1-(5-bromo-2-methoxy-phenyl)-2-ethyl-butyl]ammonium CAS Name: [(1S)-1-(5-bromo-2-methoxyphenyl)-2-ethylbutyl]ammonium IUPAC Name: [(1S)-1-(5-bromo-2-methoxyphenyl)-2-ethylbutyl]azanium Traditional Name: [(1S)-1-(5-bromo-2-methoxy-phenyl)-2-ethyl-butyl]ammonium Formula: C13H21BrNO+ MolecularWeight: 287.21594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(C1=C(C=CC(=C1)Br)OC)[NH3+]

Isomeric SMILES

CCC(CC)[C@@H](C1=C(C=CC(=C1)Br)OC)[NH3+]

InChI

InChI=1S/C13H20BrNO/c1-4-9(5-2)13(15)11-8-10(14)6-7-12(11)16-3/h6-9,13H,4-5,15H2,1-3H3/p+1/t13-/m0/s1