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

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

Systemtic Name:1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azepan-1-ium
Openeye Name:1-[(4-benzyloxy-3-methoxy-phenyl)methyl]azepan-1-ium
CAS Name:1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]azepan-1-ium
IUPAC Name:1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]azepan-1-ium
Traditional Name:1-(4-benzoxy-3-methoxy-benzyl)azepan-1-ium
Formula: C21H28NO2+
MolecularWeight: 326.45252
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCCCCC2)OCC3=CC=CC=C3


Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCCCCC2)OCC3=CC=CC=C3


InChI

InChI=1S/C21H27NO2/c1-23-21-15-19(16-22-13-7-2-3-8-14-22)11-12-20(21)24-17-18-9-5-4-6-10-18/h4-6,9-12,15H,2-3,7-8,13-14,16-17H2,1H3/p+1


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