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

Systemtic Name: 1-adamantyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-ethoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-ethoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C27H36NO2+ MolecularWeight: 406.58024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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