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

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

Systemtic Name:2-adamantyl-[[3,5-bis(bromanyl)-2-methoxy-phenyl]methyl]azanium
Openeye Name:2-adamantyl-[(3,5-dibromo-2-methoxy-phenyl)methyl]ammonium
CAS Name:2-adamantyl-[(3,5-dibromo-2-methoxyphenyl)methyl]ammonium
IUPAC Name:2-adamantyl-[(3,5-dibromo-2-methoxyphenyl)methyl]azanium
Traditional Name:2-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+]C2C3CC4CC(C3)CC2C4)Br)Br


Isomeric SMILES

COC1=C(C=C(C=C1C[NH2+]C2C3CC4CC(C3)CC2C4)Br)Br


InChI

InChI=1S/C18H23Br2NO/c1-22-18-14(7-15(19)8-16(18)20)9-21-17-12-3-10-2-11(5-12)6-13(17)4-10/h7-8,10-13,17,21H,2-6,9H2,1H3/p+1


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