1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanyl-piperidin-1-yl]-2-imidazol-1-yl-ethanone

Systemtic Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-oxidanyl-piperidin-1-yl]-2-imidazol-1-yl-ethanone Openeye Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxy-1-piperidyl]-2-imidazol-1-yl-ethanone CAS Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-3-hydroxy-1-piperidinyl]-2-(1-imidazolyl)ethanone IUPAC Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxypiperidin-1-yl]-2-imidazol-1-ylethanone Traditional Name: 1-[(3R,4R)-4-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-3-hydroxy-piperidino]-2-imidazol-1-yl-ethanone Formula: C20H27FN5O2+ MolecularWeight: 388.459083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1[NH+]2CCN(CC2)C3=CC=CC=C3F)O)C(=O)CN4C=CN=C4

Isomeric SMILES

C1CN(C[C@H]([C@@H]1[NH+]2CCN(CC2)C3=CC=CC=C3F)O)C(=O)CN4C=CN=C4

InChI

InChI=1S/C20H26FN5O2/c21-16-3-1-2-4-17(16)24-9-11-25(12-10-24)18-5-7-26(13-19(18)27)20(28)14-23-8-6-22-15-23/h1-4,6,8,15,18-19,27H,5,7,9-14H2/p+1/t18-,19-/m1/s1