(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-[(2R)-2-hydroxy-2-phenyl-ethyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[(2R)-2-hydroxy-2-phenylethyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[(2R)-2-hydroxy-2-phenyl-ethyl]ammonium Formula: C24H27BrNO3+ MolecularWeight: 457.38008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC(C2=CC=CC=C2)O)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C[C@@H](C2=CC=CC=C2)O)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26BrNO3/c1-2-28-23-14-19(15-26-16-22(27)20-11-7-4-8-12-20)13-21(25)24(23)29-17-18-9-5-3-6-10-18/h3-14,22,26-27H,2,15-17H2,1H3/p+1/t22-/m0/s1