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

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

Isomeric SMILES

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

InChI

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