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

Systemtic Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-imidazol-1-yl-ethanone Openeye Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-imidazol-1-yl-ethanone CAS Name: 1-[(3S)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(1-imidazolyl)ethanone IUPAC Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-imidazol-1-ylethanone Traditional Name: 1-[(3S)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-2-imidazol-1-yl-ethanone Formula: C20H27FN5O+ MolecularWeight: 372.459683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C=CN=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CN2C=CN=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H26FN5O/c21-17-3-5-18(6-4-17)24-10-12-25(13-11-24)19-2-1-8-26(14-19)20(27)15-23-9-7-22-16-23/h3-7,9,16,19H,1-2,8,10-15H2/p+1/t19-/m0/s1