N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-3-piperidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(3-bromanyl-4-fluoranyl-phenyl)methyl]-3-piperidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(3-bromo-4-fluoro-phenyl)methyl]-3-piperidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(3-bromo-4-fluorophenyl)methyl]-3-(1-piperidin-1-iumyl)-1-propanamine IUPAC Name: N-[(3-bromo-4-fluorophenyl)methyl]-3-piperidin-1-ium-1-ylpropan-1-amine Traditional Name: (3-bromo-4-fluoro-benzyl)-(3-piperidin-1-ium-1-ylpropyl)amine Formula: C15H23BrFN2+ MolecularWeight: 330.258923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNCC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C1CC[NH+](CC1)CCCNCC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C15H22BrFN2/c16-14-11-13(5-6-15(14)17)12-18-7-4-10-19-8-2-1-3-9-19/h5-6,11,18H,1-4,7-10,12H2/p+1