(5-bromanyl-2-phenylmethoxy-phenyl)methyl-cyclooctyl-azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-cyclooctyl-azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-cyclooctyl-ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-cyclooctylammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-cyclooctylazanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-cyclooctyl-ammonium Formula: C22H29BrNO+ MolecularWeight: 403.37576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28BrNO/c23-20-13-14-22(25-17-18-9-5-4-6-10-18)19(15-20)16-24-21-11-7-2-1-3-8-12-21/h4-6,9-10,13-15,21,24H,1-3,7-8,11-12,16-17H2/p+1