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

Systemtic Name: 2-adamantyl-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-(4-methylbenzyl)oxybenzyl]ammonium Formula: C25H32NO+ MolecularWeight: 362.52768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH2+]C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=C(C=C1)COC2=CC=CC(=C2)C[NH2+]C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H31NO/c1-17-5-7-18(8-6-17)16-27-24-4-2-3-19(14-24)15-26-25-22-10-20-9-21(12-22)13-23(25)11-20/h2-8,14,20-23,25-26H,9-13,15-16H2,1H3/p+1