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

Systemtic Name: 2-adamantyl-[(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-adamantyl-(4-benzoxy-3-bromo-5-methoxy-benzyl)ammonium Formula: C25H31BrNO2+ MolecularWeight: 457.42314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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