(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[(1S,2R)-1-oxidanyl-1-phenyl-propan-2-yl]azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-[(1R,2S)-2-hydroxy-1-methyl-2-phenyl-ethyl]ammonium Formula: C20H25BrNO3+ MolecularWeight: 407.3214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)O)[NH2+]CC2=CC(=C(C(=C2)Br)OCC=C)OC

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)O)[NH2+]CC2=CC(=C(C(=C2)Br)OCC=C)OC

InChI

InChI=1S/C20H24BrNO3/c1-4-10-25-20-17(21)11-15(12-18(20)24-3)13-22-14(2)19(23)16-8-6-5-7-9-16/h4-9,11-12,14,19,22-23H,1,10,13H2,2-3H3/p+1/t14-,19-/m1/s1