[(2R)-2-(5-bromanyl-2-oxidanyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium

Systemtic Name: [(2R)-2-(5-bromanyl-2-oxidanyl-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Openeye Name: [(2R)-2-(5-bromo-2-hydroxy-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium CAS Name: [(2R)-2-(5-bromo-2-hydroxyphenyl)-2-(4-methyl-1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(5-bromo-2-hydroxyphenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]azanium Traditional Name: [(2R)-2-(5-bromo-2-hydroxy-phenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethyl]ammonium Formula: C14H23BrN2O+2 MolecularWeight: 315.24922

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(C[NH3+])C2=C(C=CC(=C2)Br)O

Isomeric SMILES

CC1CC[NH+](CC1)[C@@H](C[NH3+])C2=C(C=CC(=C2)Br)O

InChI

InChI=1S/C14H21BrN2O/c1-10-4-6-17(7-5-10)13(9-16)12-8-11(15)2-3-14(12)18/h2-3,8,10,13,18H,4-7,9,16H2,1H3/p+2/t13-/m0/s1