(3-bromanyl-4-fluoranyl-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: (3-bromanyl-4-fluoranyl-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: (3-bromo-4-fluoro-phenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: (3-bromo-4-fluorophenyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (3-bromo-4-fluorophenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (3-bromo-4-fluoro-benzyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C16H26BrFN2+2 MolecularWeight: 345.293443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C16H24BrFN2/c1-13-5-2-3-9-20(13)10-4-8-19-12-14-6-7-16(18)15(17)11-14/h6-7,11,13,19H,2-5,8-10,12H2,1H3/p+2/t13-/m0/s1