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

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-cycloheptyl-azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-cycloheptyl-ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-cycloheptylammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-cycloheptylazanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-cycloheptyl-ammonium Formula: C22H29BrNO+ MolecularWeight: 403.37576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]C3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]C3CCCCCC3

InChI

InChI=1S/C22H28BrNO/c1-17-8-10-18(11-9-17)16-25-22-13-12-20(23)14-19(22)15-24-21-6-4-2-3-5-7-21/h8-14,21,24H,2-7,15-16H2,1H3/p+1