[(2R)-2-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(5-bromanyl-3-methoxy-2-oxidanyl-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(5-bromo-2-hydroxy-3-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(5-bromo-2-hydroxy-3-methoxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C14H23BrN2O2+2 MolecularWeight: 331.24862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C(C[NH3+])[NH+]2CCCCC2)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)[C@H](C[NH3+])[NH+]2CCCCC2)O

InChI

InChI=1S/C14H21BrN2O2/c1-19-13-8-10(15)7-11(14(13)18)12(9-16)17-5-3-2-4-6-17/h7-8,12,18H,2-6,9,16H2,1H3/p+2/t12-/m0/s1