(5-bromanylfuran-2-yl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: (5-bromanylfuran-2-yl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: (5-bromo-2-furyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium CAS Name: (5-bromo-2-furanyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (5-bromofuran-2-yl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (5-bromo-2-furyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C14H25BrN2O+2 MolecularWeight: 317.2651

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=CC=C(O2)Br

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=CC=C(O2)Br

InChI

InChI=1S/C14H23BrN2O/c1-12-5-2-3-9-17(12)10-4-8-16-11-13-6-7-14(15)18-13/h6-7,12,16H,2-5,8-11H2,1H3/p+2/t12-/m0/s1