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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28FN3O/c1-3-11-21(12-4-2)17(15-5-7-16(19)8-6-15)18(23)22-13-9-20-10-14-22/h5-8,17,20H,3-4,9-14H2,1-2H3/p+1/t17-/m0/s1