1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanyl-piperidin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanyl-piperidin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxy-1-piperidyl]-3-methyl-but-2-en-1-one CAS Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-hydroxy-1-piperidinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxypiperidin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxy-piperidino]-3-methyl-but-2-en-1-one Formula: C20H29FN3O2+ MolecularWeight: 362.461563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCC(C(C1)O)[NH+]2CCN(CC2)C3=CC=CC=C3F)C

Isomeric SMILES

CC(=CC(=O)N1CC[C@H]([C@@H](C1)O)[NH+]2CCN(CC2)C3=CC=CC=C3F)C

InChI

InChI=1S/C20H28FN3O2/c1-15(2)13-20(26)24-8-7-18(19(25)14-24)23-11-9-22(10-12-23)17-6-4-3-5-16(17)21/h3-6,13,18-19,25H,7-12,14H2,1-2H3/p+1/t18-,19-/m1/s1