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

Systemtic Name: 1-adamantyl-[[3,5-bis(bromanyl)-2-ethoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[(3,5-dibromo-2-ethoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3,5-dibromo-2-ethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3,5-dibromo-2-ethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(3,5-dibromo-2-ethoxy-benzyl)ammonium Formula: C19H26Br2NO+ MolecularWeight: 444.22384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)Br

InChI

InChI=1S/C19H25Br2NO/c1-2-23-18-15(6-16(20)7-17(18)21)11-22-19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,12-14,22H,2-5,8-11H2,1H3/p+1