1-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-2-naphthol Formula: C21H21ClF3N3O+2 MolecularWeight: 423.85915

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC3=CC=CC=C32)O)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

InChI

InChI=1S/C21H19ClF3N3O/c22-18-11-15(21(23,24)25)12-26-20(18)28-9-7-27(8-10-28)13-17-16-4-2-1-3-14(16)5-6-19(17)29/h1-6,11-12,29H,7-10,13H2/p+2