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1-[(3-phenoxyphenyl)methyl]azepan-1-ium

1-[(3-phenoxyphenyl)methyl]azepan-1-ium

Systemtic Name:1-[(3-phenoxyphenyl)methyl]azepan-1-ium
Openeye Name:1-[(3-phenoxyphenyl)methyl]azepan-1-ium
CAS Name:1-[(3-phenoxyphenyl)methyl]azepan-1-ium
IUPAC Name:1-[(3-phenoxyphenyl)methyl]azepan-1-ium
Traditional Name:1-(3-phenoxybenzyl)azepan-1-ium
Formula: C19H24NO+
MolecularWeight: 282.39996
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3


Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3


InChI

InChI=1S/C19H23NO/c1-2-7-14-20(13-6-1)16-17-9-8-12-19(15-17)21-18-10-4-3-5-11-18/h3-5,8-12,15H,1-2,6-7,13-14,16H2/p+1


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