[1-[(2R)-2-(4-bromophenyl)-2-oxidanyl-ethyl]piperidin-1-ium-4-yl]azanium

Systemtic Name: [1-[(2R)-2-(4-bromophenyl)-2-oxidanyl-ethyl]piperidin-1-ium-4-yl]azanium Openeye Name: [1-[(2R)-2-(4-bromophenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-yl]ammonium CAS Name: [1-[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-4-piperidin-1-iumyl]ammonium IUPAC Name: [1-[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]piperidin-1-ium-4-yl]azanium Traditional Name: [1-[(2R)-2-(4-bromophenyl)-2-hydroxy-ethyl]piperidin-1-ium-4-yl]ammonium Formula: C13H21BrN2O+2 MolecularWeight: 301.22264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH3+])CC(C2=CC=C(C=C2)Br)O

Isomeric SMILES

C1C[NH+](CCC1[NH3+])C[C@@H](C2=CC=C(C=C2)Br)O

InChI

InChI=1S/C13H19BrN2O/c14-11-3-1-10(2-4-11)13(17)9-16-7-5-12(15)6-8-16/h1-4,12-13,17H,5-9,15H2/p+2/t13-/m0/s1