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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)O)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCC(CC2)O)Br)O

InChI

InChI=1S/C13H18BrNO3/c1-18-12-7-9(6-11(14)13(12)17)8-15-4-2-10(16)3-5-15/h6-7,10,16-17H,2-5,8H2,1H3/p+1