[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (3,5-dibromo-4-phenylmethoxyphenyl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-[(1R)-1-phenylethyl]ammonium Formula: C22H22Br2NO+ MolecularWeight: 476.22418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)Br

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C22H21Br2NO/c1-16(19-10-6-3-7-11-19)25-14-18-12-20(23)22(21(24)13-18)26-15-17-8-4-2-5-9-17/h2-13,16,25H,14-15H2,1H3/p+1/t16-/m1/s1