[(2R)-2-(3-bromanyl-4-oxidanyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(3-bromanyl-4-oxidanyl-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(3-bromo-4-hydroxy-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(3-bromo-4-hydroxyphenyl)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(3-bromo-4-hydroxyphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(3-bromo-4-hydroxy-phenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C14H23BrN2O+2 MolecularWeight: 315.24922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C[NH3+])C2=CC(=C(C=C2)O)Br

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C[NH3+])C2=CC(=C(C=C2)O)Br

InChI

InChI=1S/C14H21BrN2O/c1-10-4-2-3-7-17(10)13(9-16)11-5-6-14(18)12(15)8-11/h5-6,8,10,13,18H,2-4,7,9,16H2,1H3/p+2/t10-,13-/m0/s1