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

Systemtic Name: 3-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C19H20ClF3N4+2 MolecularWeight: 396.83711

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C4=C(C=C(C=[NH+]4)C(F)(F)F)Cl

InChI

InChI=1S/C19H18ClF3N4/c20-16-9-14(19(21,22)23)11-25-18(16)27-7-5-26(6-8-27)12-13-10-24-17-4-2-1-3-15(13)17/h1-4,9-11,24H,5-8,12H2/p+2