1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-methoxyphenyl)piperazine

Systemtic Name: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-methoxyphenyl)piperazine Openeye Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-methoxyphenyl)piperazine CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-(2-methoxyphenyl)piperazine IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-methoxyphenyl)piperazine Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]-4-(2-methoxyphenyl)piperazine Formula: C17H18ClF3N3O+ MolecularWeight: 372.79253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=C(C=C(C=[NH+]3)C(F)(F)F)Cl

InChI

InChI=1S/C17H17ClF3N3O/c1-25-15-5-3-2-4-14(15)23-6-8-24(9-7-23)16-13(18)10-12(11-22-16)17(19,20)21/h2-5,10-11H,6-9H2,1H3/p+1