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

Systemtic Name: 1-adamantyl-[(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: 1-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+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

InChI

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