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(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-cyclooctyl-azanium

Systemtic Name:	(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-cyclooctyl-azanium
Openeye Name:	(2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-cyclooctyl-ammonium
CAS Name:	(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cyclooctylammonium
IUPAC Name:	(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-cyclooctylazanium
Traditional Name:	(2-benzoxy-5-bromo-3-methoxy-benzyl)-cyclooctyl-ammonium
Formula:	C₂₃H₃₁BrNO₂+
MolecularWeight:	433.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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

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