[5-bromanyl-2-[(2-chlorophenyl)methoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium

Systemtic Name: [5-bromanyl-2-[(2-chlorophenyl)methoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium Openeye Name: [5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl-[(1S)-1-phenylethyl]ammonium CAS Name: [5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: [5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl-[(1S)-1-phenylethyl]azanium Traditional Name: [5-bromo-2-(2-chlorobenzyl)oxy-benzyl]-[(1S)-1-phenylethyl]ammonium Formula: C22H22BrClNO+ MolecularWeight: 431.77318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3Cl

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C22H21BrClNO/c1-16(17-7-3-2-4-8-17)25-14-19-13-20(23)11-12-22(19)26-15-18-9-5-6-10-21(18)24/h2-13,16,25H,14-15H2,1H3/p+1/t16-/m0/s1