1-[(3-bromanyl-4-methoxy-phenyl)methyl]azepan-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]azepan-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]azepan-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]azepan-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]azepan-1-ium Traditional Name: 1-(3-bromo-4-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)C[NH+]2CCCCCC2)Br

Isomeric SMILES

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

InChI

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