1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]propan-2-one

Systemtic Name: 1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]propan-2-one Openeye Name: 1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]propan-2-one CAS Name: 1-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]-2-propanone IUPAC Name: 1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]propan-2-one Traditional Name: 1-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetone Formula: C15H18F3N4O+ MolecularWeight: 327.32483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[NH+]1CCC(CC1)N2C3=C(C=C(C=C3)C(F)(F)F)N=N2

Isomeric SMILES

CC(=O)C[NH+]1CCC(CC1)N2C3=C(C=C(C=C3)C(F)(F)F)N=N2

InChI

InChI=1S/C15H17F3N4O/c1-10(23)9-21-6-4-12(5-7-21)22-14-3-2-11(15(16,17)18)8-13(14)19-20-22/h2-3,8,12H,4-7,9H2,1H3/p+1