[(R)-(5-bromanylpyridin-3-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]azanium

Systemtic Name: [(R)-(5-bromanylpyridin-3-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]azanium Openeye Name: [(R)-(5-bromo-3-pyridyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ammonium CAS Name: [(R)-(5-bromo-3-pyridinyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ammonium IUPAC Name: [(R)-(5-bromopyridin-3-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]azanium Traditional Name: [(R)-(5-bromo-3-pyridyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]ammonium Formula: C15H16BrN2O2+ MolecularWeight: 336.20374

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(C3=CC(=CN=C3)Br)[NH3+])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)[C@H](C3=CC(=CN=C3)Br)[NH3+])OC1

InChI

InChI=1S/C15H15BrN2O2/c16-12-6-11(8-18-9-12)15(17)10-2-3-13-14(7-10)20-5-1-4-19-13/h2-3,6-9,15H,1,4-5,17H2/p+1/t15-/m1/s1