2-adamantyl-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C26H33BrNO2+ MolecularWeight: 471.44972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3C4CC5CC(C4)CC3C5)OC

InChI

InChI=1S/C26H32BrNO2/c1-16-3-5-17(6-4-16)15-30-26-23(27)12-20(13-24(26)29-2)14-28-25-21-8-18-7-19(10-21)11-22(25)9-18/h3-6,12-13,18-19,21-22,25,28H,7-11,14-15H2,1-2H3/p+1