ethyl 4-[(3S)-3-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-[(4-fluorophenyl)amino]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-(4-fluoroanilino)-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-(4-fluoroanilino)piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C19H29FN3O2+ MolecularWeight: 350.450863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28FN3O2/c1-2-25-19(24)22-12-9-18(10-13-22)23-11-3-4-17(14-23)21-16-7-5-15(20)6-8-16/h5-8,17-18,21H,2-4,9-14H2,1H3/p+1/t17-/m0/s1