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1-[(5-bromanyl-2-methoxy-phenyl)methyl]azepan-1-ium

1-[(5-bromanyl-2-methoxy-phenyl)methyl]azepan-1-ium

Systemtic Name:1-[(5-bromanyl-2-methoxy-phenyl)methyl]azepan-1-ium
Openeye Name:1-[(5-bromo-2-methoxy-phenyl)methyl]azepan-1-ium
CAS Name:1-[(5-bromo-2-methoxyphenyl)methyl]azepan-1-ium
IUPAC Name:1-[(5-bromo-2-methoxyphenyl)methyl]azepan-1-ium
Traditional Name:1-(5-bromo-2-methoxy-benzyl)azepan-1-ium
Formula: C14H21BrNO+
MolecularWeight: 299.22664
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCCCCC2


Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCCCCC2


InChI

InChI=1S/C14H20BrNO/c1-17-14-7-6-13(15)10-12(14)11-16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3/p+1


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