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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-cyclooctyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-cyclooctyl-ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclooctylammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclooctylazanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-cyclooctyl-ammonium Formula: C23H31BrNO2+ MolecularWeight: 433.40174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCCC2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30BrNO2/c1-26-22-15-19(16-25-20-12-8-3-2-4-9-13-20)14-21(24)23(22)27-17-18-10-6-5-7-11-18/h5-7,10-11,14-15,20,25H,2-4,8-9,12-13,16-17H2,1H3/p+1