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

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

Systemtic Name:1-adamantyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium
Openeye Name:1-adamantyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium
CAS Name:1-adamantyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium
IUPAC Name:1-adamantyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium
Traditional Name:1-adamantyl(vanillyl)ammonium
Formula: C18H26NO2+
MolecularWeight: 288.40454
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H25NO2/c1-21-17-7-12(2-3-16(17)20)11-19-18-8-13-4-14(9-18)6-15(5-13)10-18/h2-3,7,13-15,19-20H,4-6,8-11H2,1H3/p+1


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