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

Systemtic Name: 2-adamantyl-[(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-adamantyl-(2-benzoxy-5-bromo-3-methoxy-benzyl)ammonium Formula: C25H31BrNO2+ MolecularWeight: 457.42314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC5=CC=CC=C5

InChI

InChI=1S/C25H30BrNO2/c1-28-23-13-22(26)12-21(25(23)29-15-16-5-3-2-4-6-16)14-27-24-19-8-17-7-18(10-19)11-20(24)9-17/h2-6,12-13,17-20,24,27H,7-11,14-15H2,1H3/p+1