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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]C2CCCCCC2)Br)OCC3=CC=C(C=C3)C

InChI

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