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

Systemtic Name: 2-adamantyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C27H36NO2+ MolecularWeight: 406.58024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35NO2/c1-3-29-26-15-20(8-9-25(26)30-17-19-6-4-18(2)5-7-19)16-28-27-23-11-21-10-22(13-23)14-24(27)12-21/h4-9,15,21-24,27-28H,3,10-14,16-17H2,1-2H3/p+1