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

Systemtic Name: 1-adamantyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-methoxy-4-(o-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-adamantyl-[3-methoxy-4-(2-methylbenzyl)oxy-benzyl]ammonium Formula: C26H34NO2+ MolecularWeight: 392.55366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1COC2=C(C=C(C=C2)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=C(C=C2)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC

InChI

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