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

Systemtic Name: butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-oxidanylidene-2-piperazin-1-yl-ethyl]azanium Openeye Name: butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-oxo-2-piperazin-1-yl-ethyl]ammonium CAS Name: butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-oxo-2-(1-piperazinyl)ethyl]ammonium IUPAC Name: butyl-ethyl-[(1S)-1-(4-fluorophenyl)-2-oxo-2-piperazin-1-ylethyl]azanium Traditional Name: 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28FN3O/c1-3-5-12-21(4-2)17(15-6-8-16(19)9-7-15)18(23)22-13-10-20-11-14-22/h6-9,17,20H,3-5,10-14H2,1-2H3/p+1/t17-/m0/s1