1-[4-[(3S)-3-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-(4-fluoroanilino)-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C18H27FN3O+ MolecularWeight: 320.424883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)NC3=CC=C(C=C3)F

Isomeric SMILES

CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C18H26FN3O/c1-14(23)21-11-8-18(9-12-21)22-10-2-3-17(13-22)20-16-6-4-15(19)5-7-16/h4-7,17-18,20H,2-3,8-13H2,1H3/p+1/t17-/m0/s1