1-adamantyl-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(4-benzoxy-3-bromo-5-ethoxy-benzyl)ammonium Formula: C26H33BrNO2+ MolecularWeight: 471.44972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C26H32BrNO2/c1-2-29-24-12-22(11-23(27)25(24)30-17-18-6-4-3-5-7-18)16-28-26-13-19-8-20(14-26)10-21(9-19)15-26/h3-7,11-12,19-21,28H,2,8-10,13-17H2,1H3/p+1