[(2R)-2-(5-bromanyl-2-oxidanyl-phenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(5-bromanyl-2-oxidanyl-phenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(5-bromo-2-hydroxy-phenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2R)-2-(5-bromo-2-hydroxyphenyl)-2-[(2S)-2-ethyl-1-piperidin-1-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(5-bromo-2-hydroxyphenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]azanium Traditional Name: [(2R)-2-(5-bromo-2-hydroxy-phenyl)-2-[(2S)-2-ethylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C15H25BrN2O+2 MolecularWeight: 329.2758

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1C(C[NH3+])C2=C(C=CC(=C2)Br)O

Isomeric SMILES

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

InChI

InChI=1S/C15H23BrN2O/c1-2-12-5-3-4-8-18(12)14(10-17)13-9-11(16)6-7-15(13)19/h6-7,9,12,14,19H,2-5,8,10,17H2,1H3/p+2/t12-,14-/m0/s1