(3S)-3-imidazol-1-yl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one

Systemtic Name: (3S)-3-imidazol-1-yl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one Openeye Name: (3S)-3-imidazol-1-yl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one CAS Name: (3S)-3-(1-imidazolyl)-1-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-1-butanone IUPAC Name: (3S)-3-imidazol-1-yl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]butan-1-one Traditional Name: (3S)-3-imidazol-1-yl-1-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazino]butan-1-one Formula: C17H21F3N5O+ MolecularWeight: 368.37675

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F)N3C=CN=C3

Isomeric SMILES

C[C@@H](CC(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F)N3C=CN=C3

InChI

InChI=1S/C17H20F3N5O/c1-13(25-5-4-21-12-25)10-16(26)24-8-6-23(7-9-24)15-3-2-14(11-22-15)17(18,19)20/h2-5,11-13H,6-10H2,1H3/p+1/t13-/m0/s1