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

Systemtic Name: 2-adamantyl-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 2-adamantyl-[(4-benzyloxy-3-ethoxy-phenyl)methyl]ammonium CAS Name: 2-adamantyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 2-adamantyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 2-adamantyl-(4-benzoxy-3-ethoxy-benzyl)ammonium Formula: C26H34NO2+ MolecularWeight: 392.55366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO2/c1-2-28-25-15-19(8-9-24(25)29-17-18-6-4-3-5-7-18)16-27-26-22-11-20-10-21(13-22)14-23(26)12-20/h3-9,15,20-23,26-27H,2,10-14,16-17H2,1H3/p+1