3-chloranyl-2-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine

Systemtic Name: 3-chloranyl-2-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine Openeye Name: 3-chloro-2-[[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]oxy]-5-(trifluoromethyl)pyridine CAS Name: 3-chloro-2-[[1-(3-nitro-2-pyridin-1-iumyl)-4-piperidinyl]oxy]-5-(trifluoromethyl)pyridine IUPAC Name: 3-chloro-2-[1-(3-nitropyridin-1-ium-2-yl)piperidin-4-yl]oxy-5-(trifluoromethyl)pyridine Traditional Name: 3-chloro-2-[[1-(3-nitropyridin-1-ium-2-yl)-4-piperidyl]oxy]-5-(trifluoromethyl)pyridine Formula: C16H15ClF3N4O3+ MolecularWeight: 403.76351

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1OC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClF3N4O3/c17-12-8-10(16(18,19)20)9-22-15(12)27-11-3-6-23(7-4-11)14-13(24(25)26)2-1-5-21-14/h1-2,5,8-9,11H,3-4,6-7H2/p+1