[4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone

Systemtic Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Openeye Name: (2-fluorophenyl)-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2S)-butan-2-yl]-1-piperazin-4-iumyl]-(2-fluorophenyl)methanone IUPAC Name: [4-[(2S)-butan-2-yl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Traditional Name: (2-fluorophenyl)-[4-[(1S)-1-methylpropyl]piperazin-4-ium-1-yl]methanone Formula: C15H22FN2O+ MolecularWeight: 265.346383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2F

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C15H21FN2O/c1-3-12(2)17-8-10-18(11-9-17)15(19)13-6-4-5-7-14(13)16/h4-7,12H,3,8-11H2,1-2H3/p+1/t12-/m0/s1