(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C12H19BrNO3+ MolecularWeight: 305.18816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18BrNO3/c1-8(7-16-2)14-6-9-4-10(13)12(15)11(5-9)17-3/h4-5,8,14-15H,6-7H2,1-3H3/p+1/t8-/m0/s1