(3S)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-ol

Systemtic Name: (3S)-1-[(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-3-ol Openeye Name: (3S)-1-[(3-bromo-4-hydroxy-5-methoxy-phenyl)methyl]piperidin-1-ium-3-ol CAS Name: (3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidin-1-iumol IUPAC Name: (3S)-1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidin-1-ium-3-ol Traditional Name: (3S)-1-(3-bromo-4-hydroxy-5-methoxy-benzyl)piperidin-1-ium-3-ol Formula: C13H19BrNO3+ MolecularWeight: 317.19886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCCC(C2)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC[C@@H](C2)O)Br)O

InChI

InChI=1S/C13H18BrNO3/c1-18-12-6-9(5-11(14)13(12)17)7-15-4-2-3-10(16)8-15/h5-6,10,16-17H,2-4,7-8H2,1H3/p+1/t10-/m0/s1