1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-methoxy-ethanone

Systemtic Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-methoxy-ethanone CAS Name: 1-[(3S)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-methoxyethanone IUPAC Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-methoxyethanone Traditional Name: 1-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]piperidino]-2-methoxy-ethanone Formula: C18H27FN3O2+ MolecularWeight: 336.424283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26FN3O2/c1-24-14-18(23)22-8-4-5-15(13-22)20-9-11-21(12-10-20)17-7-3-2-6-16(17)19/h2-3,6-7,15H,4-5,8-14H2,1H3/p+1/t15-/m0/s1