(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(1,1,3,3-tetramethylbutyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(2,4,4-trimethylpentan-2-yl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(1,1,3,3-tetramethylbutyl)ammonium Formula: C22H31BrNO+ MolecularWeight: 405.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC(C)(C)[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C22H30BrNO/c1-21(2,3)16-22(4,5)24-14-18-13-19(23)11-12-20(18)25-15-17-9-7-6-8-10-17/h6-13,24H,14-16H2,1-5H3/p+1