(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methyl-[(2S)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: (4-allyloxy-3-bromo-5-methoxy-phenyl)methyl-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methyl-[(2S)-2-hydroxy-2-phenylethyl]azanium Traditional Name: (4-allyloxy-3-bromo-5-methoxy-benzyl)-[(2S)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C19H23BrNO3+ MolecularWeight: 393.29482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C[C@H](C2=CC=CC=C2)O)Br)OCC=C

InChI

InChI=1S/C19H22BrNO3/c1-3-9-24-19-16(20)10-14(11-18(19)23-2)12-21-13-17(22)15-7-5-4-6-8-15/h3-8,10-11,17,21-22H,1,9,12-13H2,2H3/p+1/t17-/m1/s1