[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-(2-thienyl)methanone CAS Name: [(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-(2-thienyl)methanone Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=CS2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=CC=CS2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H24FN3OS/c21-16-5-7-17(8-6-16)22-10-12-23(13-11-22)18-3-1-9-24(15-18)20(25)19-4-2-14-26-19/h2,4-8,14,18H,1,3,9-13,15H2/p+1/t18-/m0/s1