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

Systemtic Name: [3-bromanyl-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-cyclohexyl-azanium Openeye Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)phenyl]methyl-cyclohexyl-ammonium CAS Name: [3-bromo-5-methoxy-4-(3-pyridinylmethoxy)phenyl]methyl-cyclohexylammonium IUPAC Name: [3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl-cyclohexylazanium Traditional Name: [3-bromo-5-methoxy-4-(3-pyridylmethoxy)benzyl]-cyclohexyl-ammonium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC3=CN=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]C2CCCCC2)Br)OCC3=CN=CC=C3

InChI

InChI=1S/C20H25BrN2O2/c1-24-19-11-16(13-23-17-7-3-2-4-8-17)10-18(21)20(19)25-14-15-6-5-9-22-12-15/h5-6,9-12,17,23H,2-4,7-8,13-14H2,1H3/p+1