tert-butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium

Systemtic Name: tert-butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium Openeye Name: tert-butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-oxo-2-piperazin-1-yl-ethyl]ammonium CAS Name: tert-butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-oxo-2-(1-piperazinyl)ethyl]ammonium IUPAC Name: tert-butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-oxo-2-piperazin-1-ylethyl]azanium Traditional Name: tert-butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-keto-2-piperazino-ethyl]ammonium Formula: C18H29FN3O+ MolecularWeight: 322.440763

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C(C1=CC=C(C=C1)F)C(=O)N2CCNCC2)C(C)(C)C

Isomeric SMILES

CC[NH+]([C@@H](C1=CC=C(C=C1)F)C(=O)N2CCNCC2)C(C)(C)C

InChI

InChI=1S/C18H28FN3O/c1-5-22(18(2,3)4)16(14-6-8-15(19)9-7-14)17(23)21-12-10-20-11-13-21/h6-9,16,20H,5,10-13H2,1-4H3/p+1/t16-/m0/s1