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

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

Systemtic Name:(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-cycloheptyl-azanium
Openeye Name:(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-cycloheptyl-ammonium
CAS Name:(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cycloheptylammonium
IUPAC Name:(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cycloheptylazanium
Traditional Name:(4-benzoxy-3-bromo-5-methoxy-benzyl)-cycloheptyl-ammonium
Formula: C22H29BrNO2+
MolecularWeight: 419.37516
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=CC=CC=C3


Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=CC=CC=C3


InChI

InChI=1S/C22H28BrNO2/c1-25-21-14-18(15-24-19-11-7-2-3-8-12-19)13-20(23)22(21)26-16-17-9-5-4-6-10-17/h4-6,9-10,13-14,19,24H,2-3,7-8,11-12,15-16H2,1H3/p+1


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