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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C[NH3+])C2=CC(=C(C=C2)O)Br

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C[NH3+])C2=CC(=C(C=C2)O)Br

InChI

InChI=1S/C14H21BrN2O/c1-10-3-2-6-17(9-10)13(8-16)11-4-5-14(18)12(15)7-11/h4-5,7,10,13,18H,2-3,6,8-9,16H2,1H3/p+2/t10-,13-/m0/s1