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

Systemtic Name: 1-adamantyl-[[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: 1-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+]C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC

InChI

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