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

Systemtic Name: 2-adamantyl-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(2-benzyloxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(3-methoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(3-methoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-adamantyl-(2-benzoxy-3-methoxy-benzyl)ammonium Formula: C25H32NO2+ MolecularWeight: 378.52708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)C[NH2+]C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H31NO2/c1-27-23-9-5-8-20(25(23)28-16-17-6-3-2-4-7-17)15-26-24-21-11-18-10-19(13-21)14-22(24)12-18/h2-9,18-19,21-22,24,26H,10-16H2,1H3/p+1