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4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-bromanyl-6-methoxy-phenolate

4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-bromanyl-6-methoxy-phenolate

Systemtic Name:4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-bromanyl-6-methoxy-phenolate
Openeye Name:4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-yl-ethyl]-2-bromo-6-methoxy-phenolate
CAS Name:4-[(1R)-2-ammonio-1-(1-piperidin-1-iumyl)ethyl]-2-bromo-6-methoxyphenolate
IUPAC Name:4-[(1R)-2-azaniumyl-1-piperidin-1-ium-1-ylethyl]-2-bromo-6-methoxyphenolate
Traditional Name:4-[(1R)-2-ammonio-1-piperidin-1-ium-1-yl-ethyl]-2-bromo-6-methoxy-phenolate
Formula: C14H22BrN2O2+
MolecularWeight: 330.24068
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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