[(2S)-1-[(3-bromanyl-4-methoxy-phenyl)methyl]piperidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-[(3-bromanyl-4-methoxy-phenyl)methyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[(3-bromo-4-methoxy-phenyl)methyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[(3-bromo-4-methoxyphenyl)methyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-(3-bromo-4-methoxy-benzyl)piperidin-1-ium-2-yl]methanol Formula: C14H21BrNO2+ MolecularWeight: 315.22604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCCC2CO)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCC[C@H]2CO)Br

InChI

InChI=1S/C14H20BrNO2/c1-18-14-6-5-11(8-13(14)15)9-16-7-3-2-4-12(16)10-17/h5-6,8,12,17H,2-4,7,9-10H2,1H3/p+1/t12-/m0/s1