2-[[(3S)-1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(3S)-1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(3S)-1-[1-(2-fluorophenyl)-4-piperidyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(3S)-1-[1-(2-fluorophenyl)-4-piperidinyl]-3-piperidin-1-iumyl]-methylamino]ethyl-dimethylammonium IUPAC Name: 2-[[(3S)-1-[1-(2-fluorophenyl)piperidin-4-yl]piperidin-1-ium-3-yl]-methylamino]ethyl-dimethylazanium Traditional Name: 2-[[(3S)-1-[1-(2-fluorophenyl)-4-piperidyl]piperidin-1-ium-3-yl]-methyl-amino]ethyl-dimethyl-ammonium Formula: C21H37FN4+2 MolecularWeight: 364.543683

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C)C1CCC[NH+](C1)C2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

C[NH+](C)CCN(C)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C21H35FN4/c1-23(2)15-16-24(3)19-7-6-12-26(17-19)18-10-13-25(14-11-18)21-9-5-4-8-20(21)22/h4-5,8-9,18-19H,6-7,10-17H2,1-3H3/p+2/t19-/m0/s1