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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclohexyl-azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-cyclohexyl-ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclohexylammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-cyclohexylazanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-cyclohexyl-ammonium Formula: C22H29BrNO2+ MolecularWeight: 419.37516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]C3CCCCC3)OC

InChI

InChI=1S/C22H28BrNO2/c1-16-8-10-17(11-9-16)15-26-22-20(23)12-18(13-21(22)25-2)14-24-19-6-4-3-5-7-19/h8-13,19,24H,3-7,14-15H2,1-2H3/p+1