(3S)-1-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(3-furylmethyl)piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(3-furanylmethyl)-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-(furan-3-ylmethyl)piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-(3-furfuryl)amine Formula: C17H22FN2O+ MolecularWeight: 289.367783

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2F)NCC3=COC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2F)NCC3=COC=C3

InChI

InChI=1S/C17H21FN2O/c18-17-6-2-1-4-15(17)11-20-8-3-5-16(12-20)19-10-14-7-9-21-13-14/h1-2,4,6-7,9,13,16,19H,3,5,8,10-12H2/p+1/t16-/m0/s1