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

Systemtic Name: [3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-cyclohexyl-azanium Openeye Name: [3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]methyl-cyclohexyl-ammonium CAS Name: [3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methyl-cyclohexylammonium IUPAC Name: [3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methyl-cyclohexylazanium Traditional Name: [3-bromo-4-(cyanomethoxy)-5-methoxy-benzyl]-cyclohexyl-ammonium Formula: C16H22BrN2O2+ MolecularWeight: 354.26208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC#N

InChI

InChI=1S/C16H21BrN2O2/c1-20-15-10-12(9-14(17)16(15)21-8-7-18)11-19-13-5-3-2-4-6-13/h9-10,13,19H,2-6,8,11H2,1H3/p+1