[(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(3-bromophenyl)methyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(3-bromophenyl)methyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-(3-bromobenzyl)piperidin-1-ium-3-yl]methanol Formula: C13H19BrNO+ MolecularWeight: 285.20006

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)Br)CO

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)Br)CO

InChI

InChI=1S/C13H18BrNO/c14-13-5-1-3-11(7-13)8-15-6-2-4-12(9-15)10-16/h1,3,5,7,12,16H,2,4,6,8-10H2/p+1/t12-/m0/s1