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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclooctyl-azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-cyclooctyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclooctylammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclooctylazanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-cyclooctyl-ammonium Formula: C24H33BrNO2+ MolecularWeight: 447.42832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCCCCC3)OC

InChI

InChI=1S/C24H32BrNO2/c1-18-10-12-19(13-11-18)17-28-24-22(25)14-20(15-23(24)27-2)16-26-21-8-6-4-3-5-7-9-21/h10-15,21,26H,3-9,16-17H2,1-2H3/p+1