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1-adamantyl-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl]azanium

1-adamantyl-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl]azanium

Systemtic Name:1-adamantyl-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl]azanium
Openeye Name:1-adamantyl-[(3,5-dibromo-2-methoxy-phenyl)methyl]ammonium
CAS Name:1-adamantyl-[(3,5-dibromo-2-methoxyphenyl)methyl]ammonium
IUPAC Name:1-adamantyl-[(3,5-dibromo-2-methoxyphenyl)methyl]azanium
Traditional Name:1-adamantyl-(3,5-dibromo-2-methoxy-benzyl)ammonium
Formula: C18H24Br2NO+
MolecularWeight: 430.19726
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)Br


Isomeric SMILES

COC1=C(C=C(C=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)Br


InChI

InChI=1S/C18H23Br2NO/c1-22-17-14(5-15(19)6-16(17)20)10-21-18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,11-13,21H,2-4,7-10H2,1H3/p+1


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