1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]but-3-en-1-one

Systemtic Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]but-3-en-1-one Openeye Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]but-3-en-1-one CAS Name: 1-[(3S)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-buten-1-one IUPAC Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]but-3-en-1-one Traditional Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidino]but-3-en-1-one Formula: C19H27FN3O+ MolecularWeight: 332.435583

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

C=CCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C19H26FN3O/c1-2-6-19(24)23-10-5-7-16(15-23)21-11-13-22(14-12-21)18-9-4-3-8-17(18)20/h2-4,8-9,16H,1,5-7,10-15H2/p+1/t16-/m0/s1