3-chloranyl-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridin-1-ium

Systemtic Name: 3-chloranyl-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridin-1-ium Openeye Name: 3-chloro-2-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-piperidyl]-5-(trifluoromethyl)pyridin-1-ium CAS Name: 3-chloro-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-piperidinyl]-5-(trifluoromethyl)pyridin-1-ium IUPAC Name: 3-chloro-2-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]-5-(trifluoromethyl)pyridin-1-ium Traditional Name: 3-chloro-2-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]piperidino]-5-(trifluoromethyl)pyridin-1-ium Formula: C18H17ClF3N4S+ MolecularWeight: 413.86759

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC(=NN2)C3=CC=CS3)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C2=CC(=NN2)C3=CC=CS3)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

InChI

InChI=1S/C18H16ClF3N4S/c19-13-8-12(18(20,21)22)10-23-17(13)26-5-3-11(4-6-26)14-9-15(25-24-14)16-2-1-7-27-16/h1-2,7-11H,3-6H2,(H,24,25)/p+1