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

Systemtic Name: 1-adamantyl-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(4-benzyloxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(4-benzoxy-3-methoxy-benzyl)ammonium Formula: C25H32NO2+ MolecularWeight: 378.52708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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