(3R)-3-[2-[4-(2-fluoranylphenoxy)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(2-fluoranylphenoxy)piperidin-1-yl]-2-oxidanylidene-ethyl]-4-propan-2-yl-piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-[4-(2-fluorophenoxy)-1-piperidyl]-2-oxo-ethyl]-4-isopropyl-piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(2-fluorophenoxy)-1-piperidinyl]-2-oxoethyl]-4-propan-2-yl-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-[4-(2-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-4-propan-2-ylpiperazin-4-ium-2-one Traditional Name: (3R)-3-[2-[4-(2-fluorophenoxy)piperidino]-2-keto-ethyl]-4-isopropyl-piperazin-4-ium-2-one Formula: C20H29FN3O3+ MolecularWeight: 378.460963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCNC(=O)C1CC(=O)N2CCC(CC2)OC3=CC=CC=C3F

Isomeric SMILES

CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)N2CCC(CC2)OC3=CC=CC=C3F

InChI

InChI=1S/C20H28FN3O3/c1-14(2)24-12-9-22-20(26)17(24)13-19(25)23-10-7-15(8-11-23)27-18-6-4-3-5-16(18)21/h3-6,14-15,17H,7-13H2,1-2H3,(H,22,26)/p+1/t17-/m1/s1