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

Systemtic Name: 1-adamantyl-[(3-ethoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(4-benzyloxy-3-ethoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(4-benzoxy-3-ethoxy-benzyl)ammonium Formula: C26H34NO2+ MolecularWeight: 392.55366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)CC(C4)C3)OCC5=CC=CC=C5

InChI

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