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1-adamantyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium

1-adamantyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium

Systemtic Name:1-adamantyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]azanium
Openeye Name:1-adamantyl-[(3-methoxy-4-phenethyloxy-phenyl)methyl]ammonium
CAS Name:1-adamantyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]ammonium
IUPAC Name:1-adamantyl-[(3-methoxy-4-phenethyloxyphenyl)methyl]azanium
Traditional Name:1-adamantyl-(3-methoxy-4-phenethyloxy-benzyl)ammonium
Formula: C26H34NO2+
MolecularWeight: 392.55366
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCCC5=CC=CC=C5


Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCCC5=CC=CC=C5


InChI

InChI=1S/C26H33NO2/c1-28-25-14-20(7-8-24(25)29-10-9-19-5-3-2-4-6-19)18-27-26-15-21-11-22(16-26)13-23(12-21)17-26/h2-8,14,21-23,27H,9-13,15-18H2,1H3/p+1


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