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ethyl 2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanoate

ethyl 2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanoate

Systemtic Name:ethyl 2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]ethanoate
Openeye Name:ethyl 2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetate
CAS Name:2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidin-1-iumyl]acetic acid ethyl ester
IUPAC Name:ethyl 2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetate
Traditional Name:2-[4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidin-1-ium-1-yl]acetic acid ethyl ester
Formula: C16H20F3N4O2+
MolecularWeight: 357.35081
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H19F3N4O2/c1-2-25-15(24)10-22-7-5-12(6-8-22)23-14-4-3-11(16(17,18)19)9-13(14)20-21-23/h3-4,9,12H,2,5-8,10H2,1H3/p+1


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