[(3S)-3-[(4-fluorophenyl)amino]piperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone

Systemtic Name: [(3S)-3-[(4-fluorophenyl)amino]piperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Openeye Name: [(3S)-3-(4-fluoroanilino)-1-piperidyl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone CAS Name: [(3S)-3-(4-fluoroanilino)-1-piperidinyl]-[1-(1-pyrrolidin-1-iumyl)cyclopentyl]methanone IUPAC Name: [(3S)-3-(4-fluoroanilino)piperidin-1-yl]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Traditional Name: [(3S)-3-(4-fluoroanilino)piperidino]-(1-pyrrolidin-1-ium-1-ylcyclopentyl)methanone Formula: C21H31FN3O+ MolecularWeight: 360.488743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)N2CCCC(C2)NC3=CC=C(C=C3)F)[NH+]4CCCC4

Isomeric SMILES

C1CCC(C1)(C(=O)N2CCC[C@@H](C2)NC3=CC=C(C=C3)F)[NH+]4CCCC4

InChI

InChI=1S/C21H30FN3O/c22-17-7-9-18(10-8-17)23-19-6-5-13-24(16-19)20(26)21(11-1-2-12-21)25-14-3-4-15-25/h7-10,19,23H,1-6,11-16H2/p+1/t19-/m0/s1