[(2R)-2-(azepan-1-ium-1-yl)-2-(5-bromanyl-2-methoxy-phenyl)ethyl]azanium

Systemtic Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-bromanyl-2-methoxy-phenyl)ethyl]azanium Openeye Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-bromo-2-methoxy-phenyl)ethyl]ammonium CAS Name: [(2R)-2-(1-azepan-1-iumyl)-2-(5-bromo-2-methoxyphenyl)ethyl]ammonium IUPAC Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-bromo-2-methoxyphenyl)ethyl]azanium Traditional Name: [(2R)-2-(azepan-1-ium-1-yl)-2-(5-bromo-2-methoxy-phenyl)ethyl]ammonium Formula: C15H25BrN2O+2 MolecularWeight: 329.2758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(C[NH3+])[NH+]2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)[C@H](C[NH3+])[NH+]2CCCCCC2

InChI

InChI=1S/C15H23BrN2O/c1-19-15-7-6-12(16)10-13(15)14(11-17)18-8-4-2-3-5-9-18/h6-7,10,14H,2-5,8-9,11,17H2,1H3/p+2/t14-/m0/s1