(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-cyclooctyl-azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-cyclooctyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-cyclooctyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-cyclooctylammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-cyclooctylazanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-cyclooctyl-ammonium Formula: C24H33BrNO2+ MolecularWeight: 447.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C24H32BrNO2/c1-2-27-23-16-20(17-26-21-13-9-4-3-5-10-14-21)15-22(25)24(23)28-18-19-11-7-6-8-12-19/h6-8,11-12,15-16,21,26H,2-5,9-10,13-14,17-18H2,1H3/p+1