(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-pentan-2-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1S)-1-methylbutyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2S)-pentan-2-yl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2S)-pentan-2-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1S)-1-methylbutyl]ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CCC[C@H](C)[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C13H20BrNO2/c1-4-5-9(2)15-8-10-6-11(14)13(16)12(7-10)17-3/h6-7,9,15-16H,4-5,8H2,1-3H3/p+1/t9-/m0/s1