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

Systemtic Name: 1-adamantyl-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C26H34NO2+ MolecularWeight: 392.55366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC

InChI

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