1-[(3S)-1-ethylpiperidin-1-ium-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine

Systemtic Name: 1-[(3S)-1-ethylpiperidin-1-ium-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine Openeye Name: 1-[(3S)-1-ethylpiperidin-1-ium-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine CAS Name: 1-[(3S)-1-ethyl-3-piperidin-1-iumyl]-4-[3-(trifluoromethyl)phenyl]piperazine IUPAC Name: 1-[(3S)-1-ethylpiperidin-1-ium-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine Traditional Name: 1-[(3S)-1-ethylpiperidin-1-ium-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine Formula: C18H27F3N3+ MolecularWeight: 342.42229

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC[NH+]1CCC[C@@H](C1)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H26F3N3/c1-2-22-8-4-7-17(14-22)24-11-9-23(10-12-24)16-6-3-5-15(13-16)18(19,20)21/h3,5-6,13,17H,2,4,7-12,14H2,1H3/p+1/t17-/m0/s1