[3,5-bis(chloranyl)-4-phenylmethoxy-phenyl]methyl-cyclooctyl-azanium

Systemtic Name: [3,5-bis(chloranyl)-4-phenylmethoxy-phenyl]methyl-cyclooctyl-azanium Openeye Name: (4-benzyloxy-3,5-dichloro-phenyl)methyl-cyclooctyl-ammonium CAS Name: cyclooctyl-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: cyclooctyl-[(3,5-dichloro-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3,5-dichloro-benzyl)-cyclooctyl-ammonium Formula: C22H28Cl2NO+ MolecularWeight: 393.36982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27Cl2NO/c23-20-13-18(15-25-19-11-7-2-1-3-8-12-19)14-21(24)22(20)26-16-17-9-5-4-6-10-17/h4-6,9-10,13-14,19,25H,1-3,7-8,11-12,15-16H2/p+1