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

Systemtic Name: 1-adamantyl-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-methoxy-2-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-methoxy-2-(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=CC=C2OC)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=CC=C2OC)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

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