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

Systemtic Name: 2-adamantyl-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-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+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)Br)OCC5=CC=CC=C5

InChI

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