[(1S,2S)-1-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-pentyl]azanium

Systemtic Name: [(1S,2S)-1-(2-bromanyl-4,5-dimethoxy-phenyl)-2-methyl-pentyl]azanium Openeye Name: [(1S,2S)-1-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-pentyl]ammonium CAS Name: [(1S,2S)-1-(2-bromo-4,5-dimethoxyphenyl)-2-methylpentyl]ammonium IUPAC Name: [(1S,2S)-1-(2-bromo-4,5-dimethoxyphenyl)-2-methylpentyl]azanium Traditional Name: [(1S,2S)-1-(2-bromo-4,5-dimethoxy-phenyl)-2-methyl-pentyl]ammonium Formula: C14H23BrNO2+ MolecularWeight: 317.24192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C1=CC(=C(C=C1Br)OC)OC)[NH3+]

Isomeric SMILES

CCC[C@H](C)[C@@H](C1=CC(=C(C=C1Br)OC)OC)[NH3+]

InChI

InChI=1S/C14H22BrNO2/c1-5-6-9(2)14(16)10-7-12(17-3)13(18-4)8-11(10)15/h7-9,14H,5-6,16H2,1-4H3/p+1/t9-,14-/m0/s1