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

Systemtic Name: 2-adamantyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-methoxy-4-(o-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 2-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+]C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

CC1=CC=CC=C1COC2=C(C=C(C=C2)C[NH2+]C3C4CC5CC(C4)CC3C5)OC

InChI

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